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88-02-8

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Basic Information
CAS No.: 88-02-8
Name: toluene-2,4,6-triyltriamine
Article Data: 20
Molecular Structure:
Molecular Structure of 88-02-8 (toluene-2,4,6-triyltriamine)
Formula: C7H11 N3
Molecular Weight: 137.184
Synonyms: Toluene-2,4,6-triamine(6CI,7CI,8CI); 2,4,6-Triaminotoluene; 2-Methyl-1,3,5-benzenetriamine
Density: 1.218g/cm3
Boiling Point: 377.4°C at 760 mmHg
Flash Point: 214.6°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 78.06000
LogP: 2.48520
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Chemistry

Molecule structure of Toluene-2,4,6-triyltriamine (CAS NO.88-02-8) :

IUPAC Name: 2-methylbenzene-1,3,5-triamine 
Molecular Weight: 137.18234 g/mol
Molecular Formula: C7H11N3 
Density: 1.218 g/cm3 
Boiling Point: 377.4 °C at 760 mmHg
 Flash Point: 214.6 °C
Index of Refraction: 1.705
Molar Refractivity: 43.78 cm3
Molar Volume: 112.5 cm3
Polarizability: 17.35×10-24 cm3
Surface Tension: 67.3 dyne/cm 
Enthalpy of Vaporization: 62.52 kJ/mol
Vapour Pressure: 6.77E-06 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Donor: 3
H-Bond Acceptor: 3
Exact Mass: 137.095297
MonoIsotopic Mass: 137.095297
Topological Polar Surface Area: 78.1
Heavy Atom Count: 10
Complexity: 103
Canonical SMILES: CC1=C(C=C(C=C1N)N)N
InChI: InChI=1S/C7H11N3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,8-10H2,1H3
InChIKey: YYDRNPOEMZZTPM-UHFFFAOYSA-N
EINECS of Toluene-2,4,6-triyltriamine (CAS NO.88-02-8) : 201-791-7

Toxicity Data With Reference

1.    

slt-ham-ovr 0.5 ppm/5H

     JJATDK    JAT, Journal of Applied Toxicology. 20 (2000),441.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Toluene-2,4,6-triyltriamine (CAS NO.88-02-8) is also called 2,4,6-Triaminotoluene ; CCRIS 8753 .