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1,3-Benzenediamine

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Name

1,3-Benzenediamine

EINECS 203-584-7
CAS No. 108-45-2 Density 1.15 g/cm3
PSA 52.04000 LogP 2.01340
Solubility 350 g/L (25 °C) in water Melting Point 64-66 °C(lit.)
Formula C6H8N2 Boiling Point 283.2 °C at 760 mmHg
Molecular Weight 108.16 Flash Point 147.6 °C
Transport Information UN 1673 6.1/PG 3 Appearance Gray to white crystal melting
Safety 28-36/37-45-60-61 Risk Codes 23/24/25-36-43-50/53-68-40
Molecular Structure Molecular Structure of 108-45-2 (m-Phenylenediamine) Hazard Symbols ToxicT,DangerousN
Synonyms

m-Phenylenediamine(8CI);1,3-Diaminobenzene;1,3-Diaminophenylene;1,3-Phenylenediamine;3-Aminoaniline;C.I. Developer 11;Developer C;Developer H;Developer M;Direct Brown BR;Direct Brown GG;NSC 4776;RT 30H;m-Aminoaniline;m-Benzenediamine;m-Diaminobenzene;N-butyl anhydride;metaphenylene diamine;1,3-Benzenediamine;

 

1,3-Benzenediamine Synthetic route

99-65-0

meta-dinitrobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With sodium tetrahydroborate In water at 20℃; for 1h;100%
With hydrogen; sodium fluoride In methanol at 39.84℃; for 2.17h;100%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 3h; chemoselective reaction;100%
99-09-2

3-nitro-aniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With C37H23Cl2N7Pd2(2+)*2F6P(1-); hydrogen; sodium cyanoborohydride In methanol at 50℃; under 760.051 Torr; for 6h;100%
With potassium fluoride; polymethylhydrosiloxane; palladium diacetate In tetrahydrofuran; water at 20℃; for 0.5h;99%
With potassium fluoride; polymethylhydrosiloxane; palladium diacetate In tetrahydrofuran at 20℃; for 0.5h;99%
108-36-1

1,3-dibromobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 110 - 140℃; for 16h;99%
With {(o-C6H4(NCHC6H4O)2)cobalt(II)}2; ammonia at 150℃; under 1500.15 Torr; for 10h; Autoclave; Inert atmosphere; Large scale;73%
With ammonia; water; copper(II) sulfate at 175 - 180℃;
626-00-6

1,3-Diiodobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With [Cu2(2,7-bis(pyridin-2-yl)-l,8-naphthyridine)(OH)(CF3COO)3]; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 120℃; for 16h; Sealed tube; chemoselective reaction;99%
With copper(l) iodide; 1,2,4,5-tetramethylbenzene; ammonia at 20℃; for 15h; Reagent/catalyst;94%
1740-57-4

isophthalamide

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With sodium hypochlorite; water at -5 - 50℃; for 2h; Temperature; Inert atmosphere;97%
With sodium hypochlorite In water at -5 - 50℃; for 4h; Temperature; Hofmann Rearrangement; Inert atmosphere;84.2%
With sodium hypochlorite at 45℃; for 6h; Green chemistry;92 g
With sodium hypochlorite; potassium hydroxide at 0 - 80℃; Hofmann Rearrangement; Inert atmosphere;7.1 g
6283-25-6

H2NC6H3(Cl)NO2

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrazine hydrate In methanol at 120℃; for 0.25h; Microwave irradiation;96%
108-37-2

1-bromo-3-chlorobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With ammonium hydroxide In water at 20℃; for 9h; Green chemistry;96%
14994-81-1

m-aminophenyl azide

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With hydrazinium monoformate; zinc In methanol at 20℃; for 0.15h;95%

C8H6N2O4(2-)*2K(1+)

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
In water; acetonitrile at 110℃; for 2h;95%
591-19-5

3-bromoaniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With copper(I) oxide; ammonium hydroxide In 1-methyl-pyrrolidin-2-one at 80℃; for 24h;94%
With copper(l) iodide; tetra(n-butyl)ammonium hydroxide; ammonia In water at 80℃; for 48h; Inert atmosphere; Sealed tube; chemoselective reaction;75%
6781-42-6

1,3-diacetylbenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
Stage #1: 1,3-diacetylbenzene With hydroxylamine hydrochloride at 80℃; for 3h;
Stage #2: With hydrogenchloride In water at 100℃; for 2h; Temperature; Concentration;
92%
626-01-7

3-Iodoaniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With potassium phosphate; copper(l) iodide; N-((1-oxy-pyridin-2-yl)methyl)oxalamic acid; ammonia In water; dimethyl sulfoxide at 25℃; Schlenk technique; Inert atmosphere; Sealed tube; chemoselective reaction;91%
Stage #1: 3-Iodoaniline With copper(l) iodide; L-valine; caesium carbonate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere;
Stage #2: With oxygen In dimethyl sulfoxide at 90℃; for 24h;
Stage #3: With hydrogenchloride In dichloromethane; water; dimethyl sulfoxide at 20℃; for 0.333333h; pH=1;
28%
99-65-0

meta-dinitrobenzene

A

108-45-2

m-phenylenediamine

B

99-09-2

3-nitro-aniline

Conditions
ConditionsYield
With hydrogen; PdCl2-anthranilic acid catalyst In ethanol at 60℃; under 77572.2 Torr; for 1h;A 90%
B 1%
With hydrogen; trans-Pdpy2Cl2 In ethanol at 30℃; for 6h;A 90%
B 4.5%
With hydrogen In methanesulfonic acid at 150℃; under 22502.3 Torr; for 1h; Autoclave;A 25%
B 75%
30418-59-8

3-Aminophenylboronic acid

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With sodium hydroxide; hydroxylamine-O-sulfonic acid In acetonitrile at 20℃; for 16h;90%
With copper(I) oxide; ammonium hydroxide; air In methanol at 20℃; for 12h;89%
2454-37-7

3-(1-hydroxyethyl)aniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With sodium azide; trifluoroacetic acid In hexane at 40℃; for 4h; Sealed tube;87%
With sodium azide; methanesulfonic acid; trifluoroacetic acid In hexane at 40℃; for 12h;87%
541-73-1

1,3-Dichlorobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With ammonia; 0.8Ni*0.2Cu*C20H16N2O2 at 160℃; under 1500.15 Torr; for 11h; Reagent/catalyst; Autoclave; Inert atmosphere;84%
With ammonium hydroxide; potassium phosphate; Cu0.18Bi0.88O0.88I1.06 In ethanol; water at 80℃; for 20h; Inert atmosphere; Green chemistry;98 %Chromat.
606-20-2

2,6-dinitrotoluene

A

95-80-7

4-methylbenzene-1,3-diamine

B

108-45-2

m-phenylenediamine

C

diaminoxylene

diaminoxylene

Conditions
ConditionsYield
With carbon monoxide; hydrogen sulfide; iron(III) oxide at 325℃; for 1.05h; Product distribution; Mechanism; var. time;A 80.2%
B 4.5%
C n/a
1516-59-2

3-nitrophenyl azide

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With hydrogenchloride; indium In tetrahydrofuran at 20℃; for 8h;76%
99-09-2

3-nitro-aniline

A

21371-44-8, 140661-36-5

3,3'-diaminoazobenzene

B

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With ethylenediamine at 150℃;A 24%
B 75%
121-14-2

2,4-dinitrotoluene

A

95-80-7

4-methylbenzene-1,3-diamine

B

3134-10-9

4,6-dimethyl-1,3-benzenediamine

C

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With carbon monoxide; hydrogen sulfide; iron(III) oxide at 325℃; for 1.73333h; Product distribution; Mechanism; var. time, further catalyst: 5percent Co on γ-Al2O3;A 61%
B 29.6%
C 9.3%
23809-98-5

3-(prop-1-en-2-yl)aniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
Stage #1: 3-(prop-1-en-2-yl)aniline With sodium azide; trifluoroacetic acid In hexane; water at 20 - 40℃; for 4h;
Stage #2: With sodium hydroxide In water at 0℃; for 0.333333h; Reagent/catalyst;
55%
1336-21-6

ammonium hydroxide

108-42-9

3-chloro-aniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With copper(l) iodide In water at 200℃; for 2h; Autoclave;54%
62-53-3

aniline

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With titanium; sulfuric acid; hydroxylamine Mechanism; other aromatic compounds electrochemical amination, dropping mercury electrode; var. solvents;0.1%
584-48-5

2,4-dinitrobromobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With hydrogenchloride; tin
618-86-0

1-chloro-3,5-dinitrobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With methanol; sodium hydroxide; nickel Hydrogenation;
With sodium hydroxide; nickel; isopropyl alcohol Hydrogenation;
535-87-5

3.5-diaminobenzoic acid

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With barytes bei Destillation;
603-12-3

2,6-dinitrobenzoic acid

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With hydrogenchloride; tin
51686-79-4

2,4,6-tribromo-1,3-dinitrobenzene

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With hydrogenchloride; tin
51686-79-4

2,4,6-tribromo-1,3-dinitrobenzene

A

62477-06-9

2,4,6-tribromo-1,3-phenylenediamine

B

108-45-2

m-phenylenediamine

Conditions
ConditionsYield
With acetic acid; zinc
75-15-0

carbon disulfide

16801-19-7

2-[2-(vinyloxy)ethoxymethyl]oxirane

108-45-2

m-phenylenediamine

116942-61-1

1,3-di<9-vinyloxy-5-hydroxy-2-thioxo-7-oxa-3-thia-1-azanonyl>benzene

Conditions
ConditionsYield
for 6h; Ambient temperature;100%
6079-77-2

bis(diphenylphosphinothioyl)disulfide

108-45-2

m-phenylenediamine

A

2,4-diaminophanyl diphenylphosphinodithioate

B

m-phenyleneamine salt of diphenylphosphinodithioic acid

Conditions
ConditionsYield
In benzene Heating;A 92.3%
B 100%
59565-09-2

2-(vinyloxy)ethyl isothiocyanate

108-45-2

m-phenylenediamine

140476-03-5

1-(2-Vinyloxy-ethyl)-3-{3-[3-(2-vinyloxy-ethyl)-thioureido]-phenyl}-thiourea

Conditions
ConditionsYield
for 0.0833333h;100%
108-45-2

m-phenylenediamine

104-94-9

4-methoxy-aniline

20311-41-5

(E)-4-(2-(4-methoxyphenyl)diazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: 4-methoxy-aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%
With hydrogenchloride; sodium nitrite 1. H2O, 0 deg C; 2. 0 deg C, 2 h; Yield given. Multistep reaction;
108-45-2

m-phenylenediamine

62-53-3

aniline

(E)-4-(2-phenyldiazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%
108-45-2

m-phenylenediamine

63-74-1

sulfanilamide

103-12-8

(E)-4-(2-(4-sulfonamido)diazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: sulfanilamide With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%
13194-68-8

4-iodo-2-methylaniline

108-45-2

m-phenylenediamine

(E)-4-(2-(4-iodo-2-methylphenyl)diazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: 4-iodo-2-methylaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%
35944-64-0

3-iodo-4-methylaniline

108-45-2

m-phenylenediamine

(E)-4-(2-(3-iodo-4-methylphenyl)diazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: 3-iodo-4-methylaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%
108-45-2

m-phenylenediamine

96-96-8

4-methoxy-2-nitroaniline

(E)-4-(2-(4-methoxy-2-nitrophenyl)diazenyl)benzene-1,3-diamine

Conditions
ConditionsYield
Stage #1: 4-methoxy-2-nitroaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h;
Stage #2: m-phenylenediamine With hydrogenchloride In water at 0℃; for 0.5h;
100%

4-chloro-7-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine

108-45-2

m-phenylenediamine

N1-(7-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,3-diamine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one Heating;100%

2,4-dichloro-N-(2-chloro-6-methylphenyl)pyrimidine-5-carboxamide

108-45-2

m-phenylenediamine

4-((3-aminophenyl)amino)-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidine-5-carboxamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In butan-1-ol at 20 - 90℃; for 1h;100%
118-45-6

4-chlorophthalic anhydride

108-45-2

m-phenylenediamine

148935-94-8

1,3-bis[N-(4-chlorophthalimidio)]benzene

Conditions
ConditionsYield
Sodium phenylphosphinate In methoxybenzene at 200℃; under 760.051 - 1824.12 Torr; for 2 - 7h; Conversion of starting material;99.44%
In glycerol at 150℃; for 15h;55.3%
In 1,2-dichloro-benzene at 20 - 180℃; for 32h;
108-45-2

m-phenylenediamine

684-16-2

Hexafluoroacetone

1,3-bis-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-4,6-phenylenediamine

Conditions
ConditionsYield
With 1,1,1,3',3',3'-hexafluoro-propanol; trifluoroacetic acid at 80℃; for 24h;99.2%
32813-52-8

2-diethylaminoethylisothiocyanate

108-45-2

m-phenylenediamine

137697-51-9

1,3-bis-1-<(N,N-diethylamino)ethyl>thioureido>benzene

Conditions
ConditionsYield
In 1,4-dioxane for 3h; Heating;99%
24424-99-5

di-tert-butyl dicarbonate

108-45-2

m-phenylenediamine

68621-88-5

(3-aminophenyl)carbamic acid tert-butyl ester

Conditions
ConditionsYield
In dichloromethane at 20℃; for 18h; Cooling with ice;99%
Stage #1: di-tert-butyl dicarbonate; m-phenylenediamine In dichloromethane at 20℃; for 18h;
Stage #2: With sodium carbonate In water; ethyl acetate
93%
In tetrahydrofuran at 20℃; for 24h;92%
108-45-2

m-phenylenediamine

935-79-5

cis-1,2,3,6-tetrahydrophthalic anhydride

trans-4,5-dibromocyclohexane-1,2-dicarboxylic anhydride

6-{3-[(4,5-dibromo-2-carboxy-cyclohexanecarbonyl)-amino]-phenylcarbamoyl}-cyclohex-3-enecarboxylic acid

Conditions
ConditionsYield
In acetone at 20℃; for 12h;99%
108-45-2

m-phenylenediamine

935-79-5

cis-1,2,3,6-tetrahydrophthalic anhydride

cis-4-cyclohexene-1,2-dicarboxylic acid N-(m-aminophenyl)amide

Conditions
ConditionsYield
In acetone99%
108-45-2

m-phenylenediamine

105-58-8

Diethyl carbonate

50617-74-8

N-ethyl-1,3-benzenediamine

Conditions
ConditionsYield
With zeolite NaY for 2h; Heating;99%
108-45-2

m-phenylenediamine

693-13-0

diisopropyl-carbodiimide

C20H36N6

Conditions
ConditionsYield
With [Li(THF)(DME)]3La[μ-η2η1(iPrN)2C(NC6H4p-Cl)]3 at 25℃; for 2h; Inert atmosphere;99%
With C36H52N5O4Si2Yb In neat at 60℃; for 0.5h; Inert atmosphere;93%
[{Me2Si(C5Me4)(NPh)}Y(CH2SiMe3)(thf)2] In benzene at 80℃; for 1h;

maleopimaric acid

108-45-2

m-phenylenediamine

C30H38N2O4

Conditions
ConditionsYield
With pyridine for 5h; Reflux;99%
108-45-2

m-phenylenediamine

6-chloro-N,N'-bis-(4-pyrazol-1-yl-phenyl)-[1,3,5]triazine-2,4-diamine

1607446-25-2

N-3-aminophenyl-N',N"-bis(4-pyrazol-1-ylphenyl)-1,3,5-triazine-2,4,6-triamine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 140℃; under 760.051 Torr; for 0.166667h; Inert atmosphere; Microwave irradiation;99%
108-45-2

m-phenylenediamine

7154-66-7

2-bromobenzoic acid chloride

N,N'-(1,3-phenylene)bis(2-bromobenzamide)

Conditions
ConditionsYield
With sodium hydrogencarbonate In dichloromethane at 0 - 20℃;99%
108-45-2

m-phenylenediamine

1077-28-7, 62-46-4

Thioctic acid

C14H20N2OS2

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide99%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; Inert atmosphere;99%
1734-00-5

3-hydroxy-2-naphthoyl chloride

108-45-2

m-phenylenediamine

2808-08-4

N,N'-bis-(3-hydroxy-[2]naphthoylamino)-benzene

Conditions
ConditionsYield
With thionyl chloride In 1-methyl-pyrrolidin-2-one at 10 - 20℃; for 2h;98.5%
With thionyl chloride In 1-methyl-pyrrolidin-2-one at 10 - 20℃; for 2.5h;
108-45-2

m-phenylenediamine

124-63-0

methanesulfonyl chloride

37045-73-1

3-(methylsulfonamido)aniline

Conditions
ConditionsYield
With calcium bicarbonate; magnesium hydrogencarbonate; sodium dodecyl-sulfate; sodium carbonate; calcium chloride; magnesium chloride In water at -8 - 30℃; for 13.5h; Reagent/catalyst; Temperature;98.5%

1,3-Benzenediamine Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 ,1978,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

1,3-Benzenediamine Standards and Recommendations

ACGIH TLV: TWA 0.1 mg/m3; Not Classifiable as a Human Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

1,3-Benzenediamine Specification

1,3-Benzenediamine, its cas register number is 108-45-2. It also can be call 1,3-Phenylenediamine; 3-Aminoaniline;
 Benzene, 1,3-diamino-; Metaphenylenediamine; m-Aminoaniline; m-Benzenediamine; m-Diaminobenzene; m-Fenylendiamin; m-Phenylenediamine. 1,3-diaminobenzene, is an organic compound with the formula C6H4(NH2)2. It is an isomer of o-phenylenediamine and p-phenylenediamine. It is a colourless solid. m-Phenylenediamine is produced by hydrogenation of 1,3-dinitrobenzene. The dinitrobenzene is prepared by dinitration of benzene.

Physical properties about 1,3-Benzenediamine are: (1)ACD/LogP: -0.306; (2)ACD/LogD (pH 5.5): -0.40; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 13.08; (7)ACD/KOC (pH 7.4): 16.19; (8)#H bond acceptors: 2 ; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.66 ; (12)Molar Refractivity: 34.725 cm3; (13)Molar Volume: 93.994 cm3; (14)Polarizability: 13.766 10-24cm3; (15)Surface Tension: 57.5979995727539 dyne/cm; (16)Density: 1.15 g/cm3; (17)Flash Point: 147.572 °C; (18)Enthalpy of Vaporization: 52.208 kJ/mol; (19)Boiling Point: 283.179 °C at 760 mmHg; (20)Vapour Pressure: 0.00300000002607703 mmHg at 25°C

Uses of 1,3-Benzenediamine: 1,3-Benzenediamine is used in the preparation various polymers including aramid fibers, epoxy resins, wire enamel coatings and polyurea elastomers. Other uses for m-phenylenediamine include as an accelerator for adhesive resins, and as a component of dyes for leather and textiles.

When you are using this chemical, please be cautious about it as the following:
1. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
2. Wear suitable protective clothing and gloves;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. This material and/or its container must be disposed of as hazardous waste;
5. Avoid release to the environment. Refer to special instructions safety data sheet;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2;
(2)InChIKey=WZCQRUWWHSTZEM-UHFFFAOYSA-N;
(3)Smilesc1c(cccc1N)N;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
 
cat LDLo oral 300mg/kg (300mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog LDLo intravenous 17mg/kg (17mg/kg)   Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog LDLo subcutaneous 100mg/kg (100mg/kg)   National Technical Information Service. Vol. OTS0555804,
guinea pig LD50 oral 450mg/kg (450mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
guinea pig LD50 unreported 450mg/kg (450mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse LD50 oral 67700ug/kg (67.7mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
mouse LD50 subcutaneous 90mg/kg (90mg/kg)   Kyushu Journal of Medical Science. Vol. 13, Pg. 175, 1962.
 
mouse LD50 unreported 65300ug/kg (65.3mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
rabbit LD50 oral 437mg/kg (437mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rabbit LD50 unreported 438mg/kg (438mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rabbit LDLo skin 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
National Technical Information Service. Vol. OTS0555804,
rabbit LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rat LD50 intraperitoneal 283mg/kg (283mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
 
rat LD50 oral 280mg/kg (280mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rat LD50 unreported 351mg/kg (351mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rat LDLo subcutaneous 80mg/kg (80mg/kg)   National Technical Information Service. Vol. OTS0555804,

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