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Basic Information
CAS No.: 97629-28-2
Name: 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-
Molecular Structure:
Molecular Structure of 97629-28-2 (1,4-Benzenediamine, 2,3-dimethyl-5-nitro-)
Formula: C8H11 N3 O2
Molecular Weight: 181.22
Synonyms: 1,4-Benzenediamine, 2,3-dimethyl-5-nitro-;4-AMINO-3-NITRO-5,6-DIMETHYLANILINE
Density: 1.309g/cm3
Boiling Point: 412°Cat760mmHg
Flash Point: 203°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 97.86000
LogP: 3.06160
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Chemistry

Product Name: 4-Amino-3-nitro-5,6-dimethylaniline (CAS NO.97629-28-2)


Molecular Formula: C8H11N3O2 
Molecular Weight: 181.1918g/mol
Mol File: 97629-28-2.mol
Boiling point: 412 °C at 760 mmHg
Flash Point: 203 °C
Density: 1.309 g/cm3
Surface Tension: 62.8 dyne/cm
Enthalpy of Vaporization: 66.46 kJ/mol
Vapour Pressure: 5.34E-07 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Amino-3-nitro-5,6-dimethylaniline (CAS NO.97629-28-2):
  IUPAC Name: 2,3-Dimethyl-5-nitrobenzene-1,4-diamine
  Canonical SMILES: CC1=C(C(=C(C=C1N)[N+](=O)[O-])N)C
  InChI: InChI=1S/C8H11N3O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,9-10H2,1-2H3 
  InChIKey: AIMGCRFODJUJKC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-bac-sat 100 µg/plate

     MUREAV    Mutation Research. 307 (1994),83.

Safety Profile

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

Specification

 4-Amino-3-nitro-5,6-dimethylaniline , its CAS NO. is 97629-28-2, the synonyms are 2,3-Dimethyl-5-nitro-1,4-benzenediamine ; CCRIS 8129 ; 1,4-Benzenediamine, 2,3-dimethyl-5-nitro- .