CAS No.95-76-1,3,4-Dichloroaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	95-76-1
Name:	3,4-Dichloroaniline
Article Data:	101

Formula:	C₆H₅Cl₂N
Molecular Weight:	162.018
Synonyms:	Aniline,3,4-dichloro- (7CI,8CI);3,4-DCA;3,4-Dichloraniline;3,4-Dichlorobenzenamine;3,4-Dichlorophenylamine;4,5-Dichloroaniline;4-Amino-1,2-dichlorobenzene;DCA (amine);LY 004892;NSC 247;m,p-Dichloroaniline;3,4-Dichloroaniline;
EINECS:	202-448-4
Density:	1.401 g/cm³
Melting Point:	69-71 °C(lit.)
Boiling Point:	271.8 °C at 760 mmHg
Flash Point:	118.2 °C
Solubility:	0.06 g/100 mL in water
Appearance:	brown solid
Hazard Symbols:	T, N
Risk Codes:	23/24/25-41-43-50/53-51/53-33
Safety:	26-36/37/39-45-60-61-36/37-28
Transport Information:	UN 3442 6.1/PG 2
PSA:	26.02000
LogP:	3.15680

Synthetic route

: 99-54-7
3,4-dichloronitrobenzene

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With hydrogen In ethanol; water at 25℃; under 760.051 Torr; for 3h; Autoclave;	99.9%
With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; Microwave irradiation; Green chemistry;	99%
With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; for 0.0333333h; Microwave irradiation; chemoselective reaction;	99%

: 330-54-1
DCMU

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With 3-azapentane-1,5-diamine at 140℃; for 24h; Sealed tube;	96%
With Arthrobacter sp. N2 In various solvent(s) pH=6.6; Kinetics;
With phosphate buffer at 70℃; pH=7.2; Kinetics; Activation energy; Further Variations:; Reagents; pH-values; Temperatures; various reaction time;
With dihydrogen peroxide In water Irradiation;

: 70875-62-6
(3,4-Dichloro-phenyl)-carbamic acid benzyl ester

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate at 20℃; for 0.25h; chemoselective reaction;	89%

: 14047-09-7
3,3',4,4'-tetrachloroazobenzene

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With ethanol; iron; calcium chloride at 60℃; for 0.416667h;	87%
With ammonium bromide; aluminium In methanol for 0.333333h; sonication;	85%

: 151169-75-4
3,4-dichlophenylboronic acid

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With N-Bromosuccinimide; CYANAMID; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 1h; chemoselective reaction;	85%
With N-Bromosuccinimide; N-methoxylamine hydrochloride; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃;	84%

: 2150-93-8
N-(3,4-dichlorophenyl)acetamide

A: 17847-40-4
3,4-dichloro-N-ethylaniline

B: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); formic acid; bis(trifluoromethanesulfonyl)amide; triethylamine; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In dibutyl ether at 130℃; for 24h;	A n/a B 75%

: 932-98-9
1-chloro-4-nitroso-benzene

: 116278-64-9
C11H13Cl2NO2

A: 21232-47-3, 125322-31-8
3,3',4,4'-Tetrachloroazoxybenzene

B: 126614-96-8
3,4,4'-Trichloroazoxybenzene

C: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With diethylamine In methanol at 25℃;	A 16.5% B 74% C 7%

...Expand

: (3,4-dichlorophenyl)zinc(II) iodide

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
Stage #1: (3,4-dichlorophenyl)zinc(II) iodide With CuCl*2LiCl In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: With 3,3’-di-tert-butyl oxaziridine In tetrahydrofuran at -78℃; for 0.166667h; Inert atmosphere;	65%

: 116278-64-9
C11H13Cl2NO2

A: 21232-47-3, 125322-31-8
3,3',4,4'-Tetrachloroazoxybenzene

B: 126614-96-8
3,4,4'-Trichloroazoxybenzene

C: 126614-95-7
3',4',4-Trichloroazoxybenzene

D: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With diethylamine; N-(4-chlorophenyl)hydroxylamine In methanol at 25℃;	A 6.8% B 10.9% C 7.7% D 55%

...Expand

: 40750-59-2
3,4-dichloro-N-methylaniline

: 95-76-1
m,p-dichloroaniline

Conditions

Conditions	Yield
With piperidine; dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate In acetonitrile at -78℃; for 40h; Sealed tube; Inert atmosphere; Irradiation;	45%

Raw Materials

121-73-3

120-82-1

95-50-1

89-69-0

588-07-8

101-20-2

100-51-6

99-54-7

Downstream Products

51-44-5

Total:129 Page 1 of 4 1 2 3 4 Next>>

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Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Specification

The 3,4-Dichloroaniline, with the CAS registry number 95-76-1,is also known as 1-Amino-3,4-Dichlorobenzene; 3,4-Dichlorobenzenamine; 3,4-DCA. It belongs to the product categories of Building Blocks;C6;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks.Its EINECS number is 202-448-4. This chemical's molecular formula is C₆H₅Cl₂N and molecular weight is 162.02. What's more,Its systematic name is 3,4-Dichloroaniline.It is a brown solid which is which is stable,combustible and incompatible with strong oxidizing agents,acids,acid chlorides,acid anhydrides, but it is darkens in storage.

The characteristics of 3,4-Dichloroaniline are as follows:
(1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.33; (5)ACD/BCF (pH 7.4): 47.44; (6)ACD/KOC (pH 5.5): 549.97; (7)ACD/KOC (pH 7.4): 551.34; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 ; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 40.27 cm³; (14)Molar Volume: 115.6 cm³; (15)Polarizability: 15.96 ×10^-24 cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Density: 1.401 g/cm³; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.01 kJ/mol; (20)Boiling Point: 271.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0063 mmHg at 25°C; (22)Exact Mass: 160.979905; (23)MonoIsotopic Mass: 160.979905; (24)Topological Polar Surface Area: 26; (25)Heavy Atom Count: 9; (26)Complexity: 97.1.

You can still convert the following datas into molecular structure:
(1)SMILES:Nc1cc(Cl)c(Cl)cc1;
(2)Std. InChI:InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2;
(3)Std. InChIKey:SDYWXFYBZPNOFX-UHFFFAOYSA-N.

Production of 3,4-Dichloroaniline:
1,2-dichloro-4-nitro-benzene could react to produce 3,4-Dichloroaniline, with the following condition: reagent: NaHS/Al2O3; reation time: 4 min; yield: 80%; other condition: microwave irradiation.

Use of 3,4-Dichloroaniline is as below:
chloroacetyl chloride could react with 3,4-Dichloroaniline to produce chloro-acetic acid-(3,4-dichloro-anilide), with the following condition: reagent:benzene

As to its usage, it is widely applied in many ways. It could be used in the intermediate in pharmaceutics, pesticide, and dye. If used in pesticide, it could be the intermediate for propanil, diuron, linuron, swep and so on. And it could also be used as the intermediate for bioactivity.

Safety information of 3,4-Dichloroaniline:
When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, this chemical is toxic. It may at low levels cause damage to health, and if by inhalation, in contact with skin and if swallowed, it will bring damage to our health. Besides, it may cause sensitisation by skin contact, and it also has risk of serious damage to eyes. For another thing, it is dangerous for the environment. It may present an immediate or delayed danger to one or more components of the environment; And being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment.Therefore, you should take the following instructions while using. Wear suitable protective clothing, gloves and eye/face protection. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). While keep it, this material and its container must be disposed of as hazardous waste , and then avoid releasing to the environment, with refering to special instructions/safety data sheet.

Below are the toxicity information of 3,4-Dichloroaniline:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	237mg/kg (237mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat	LD50	skin	700mg/kg (700mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
guinea pig	LD50	oral	675mg/kg (675mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
mouse	LD50	intraperitoneal	310mg/kg (310mg/kg)	BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
mouse	LD50	oral	740mg/kg (740mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 13(5), Pg. 29, 1969.
rabbit	LD50	oral	675mg/kg (675mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(4), Pg. 8, 1968.
rabbit	LDLo	skin	300mg/kg (300mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0571586,
rat	LCLo	inhalation	65mg/m3/4H (65mg/m3)		Office of Toxic Substances Report. Vol. OTS,
rat	LD50	intraperitoneal	280mg/kg (280mg/kg)	BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Labo-Pharma-Problemes et Techniques. Vol. 27, Pg. 306, 1979.
rat	LD50	oral	545mg/kg (545mg/kg)		Office of Toxic Substances Report. Vol. OTS,