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1,3,5-Triaminobenzene

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Name

1,3,5-Triaminobenzene

EINECS 203-610-7
CAS No. 108-72-5 Density 1.279
PSA 78.06000 LogP 2.17680
Solubility N/A Melting Point 84-85℃
Formula C6H9 N3 Boiling Point 393.2°C at 760 mmHg
Molecular Weight 123.158 Flash Point 230.2°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 108-72-5 (1,3,5-TRIAMINOBENZENE) Hazard Symbols N/A
Synonyms

1,3,5-Triaminobenzene;NSC 28676;sym-Triaminobenzene;

Article Data 48

1,3,5-Triaminobenzene Synthetic route

99-35-4

1,3,5-trinitrobenzene

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With hydrogen; nickel In ethyl acetate at 40℃; under 30002.4 Torr; for 12h;100%
With hydrogenchloride; tin das Zinnchloruerdoppelsalz entsteht;
With nickel; ethyl acetate Hydrogenation;
618-87-1

3, 5-dinitroaniline

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol under 30002.4 Torr;100%
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 3375.34 Torr; for 24h; Autoclave;100%
With hydrogen; palladium on activated charcoal In tetrahydrofuran under 3800 Torr;99%
626-40-4

3,5-dibromoaniline

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 110 - 140℃; for 16h;100%
626-39-1

1,3,5-trisbromobenzene

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water; ethylene glycol at 110 - 140℃; for 16h;90%
88-89-1

2,4,6-Trinitrophenol

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With ammonium formate; zinc In methanol at 60℃; for 1h;85.8%

tri-tert-butyl N',N'',N'''-1,3,5-triaminobenzenetricarbamate

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water75%
88-88-0

2,4,6-trinitrochlorobenzene

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With hydrogenchloride; tin das Zinnchloruerdoppelsalz entsteht;
With hydrogenchloride; iron at 60℃;
621-22-7

(1Z)-cyclohexane-1,3,5-trione trioxime

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
With hydrogen; nickel In acetic acid butyl ester at 80℃; for 3h; Yield given;
With palladium 10% on activated carbon; hydrogen In methanol for 8h; Solvent; Reagent/catalyst;
7647-01-0

hydrogenchloride

99-35-4

1,3,5-trinitrobenzene

tin

tin

108-72-5

1,3,5-triaminobenzene

7647-01-0

hydrogenchloride

88-88-0

2,4,6-trinitrochlorobenzene

iron turnings

iron turnings

108-72-5

1,3,5-triaminobenzene

Conditions
ConditionsYield
at 60℃;

1,3,5-Triaminobenzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3,5-Triaminobenzene Specification

The 1,3,5-Triaminobenzene, with the CAS registry number 2634-33-5,is also known as 1,3,5-Benzenetriamine; sym-Triaminobenzene. It belongs to the product categories of Organic matters. This chemical's molecular formula is C6H9N3 and molecular weight is 123.16. Its EINECS number is 203-610-7.What's more,Its systematic name is 1,3,5-Triaminobenzene.When heated to decomposition it emits toxic vapors of NOx.

Physical properties about 1,2-Benzisothiazolin-3-one are:
(1)ACD/LogP:  -1.788; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  -1.92; (4)ACD/LogD (pH 7.4):  -1.79; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.87; (8)ACD/KOC (pH 7.4):  2.53; (9)#H bond acceptors:  3; (10)#H bond donors:  6; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.743; (13)Molar Refractivity:  38.961 cm3; (14)Molar Volume:  96.274 cm3; (15)Surface Tension:  76.5540008544922 dyne/cm; (16)Density:  1.279 g/cm3; (17)Flash Point:  230.16 °C; (18)Enthalpy of Vaporization:  64.307 kJ/mol; (19)Boiling Point:  393.22 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Nc1cc(N)cc(N)c1;
(2)Std. InChI:InChI=1S/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2;
(3)Std. InChIKey:RPHKINMPYFJSCF-UHFFFAOYSA-N.

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