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4629-58-7

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Basic Information
CAS No.: 4629-58-7
Name: 4-(4-nitrostyryl)aniline
Article Data: 4
Molecular Structure:
Molecular Structure of 4629-58-7 (4-(4-nitrostyryl)aniline)
Formula: C14H12 N2 O2
Molecular Weight: 240.261
Synonyms: 4-Stilbenamine,4'-nitro- (6CI,7CI,8CI); 4-Amino-4'-nitrostilbene; 4-Nitro-4'-aminostilbene;4'-Nitro-4-aminostilbene; NSC 52232
Density: 1.286g/cm3
Boiling Point: 414.8°Cat760mmHg
Flash Point: 204.7°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 71.84000
LogP: 4.45180
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Chemistry

Product Name: 4-(2-(4-Nitrophenyl)ethenyl)benzenamine (CAS NO.4629-58-7)


Molecular Formula: C14H12N2O2
Molecular Weight: 240.28g/mol
Mol File: 4629-58-7.mol
Boiling point: 414.8 °C at 760 mmHg
Flash Point: 204.7 °C
Density: 1.286 g/cm3
Surface Tension: 61.6 dyne/cm
Enthalpy of Vaporization: 66.78 kJ/mol
Vapour Pressure: 4.33E-07 mmHg at 25°C 
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-(2-(4-Nitrophenyl)ethenyl)benzenamine (CAS NO.4629-58-7):
  IUPAC Name: 4-[(Z)-2-(4-nitrophenyl)ethenyl]aniline
  Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)[N+](=O)[O-])N
  Isomeric SMILES: C1=CC(=CC=C1/C=C\C2=CC=C(C=C2)[N+](=O)[O-])N
  InChI: InChI=1S/C14H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H,15H2/b2-1- 
  InChIKey: CHIJEKAVDZLCJA-UPHRSURJSA-N

Toxicity Data With Reference

1.    

mic-bac-sat 10 nmol/plate

     MUREAV    Mutation Research. 268 (1992),255.
2.    

cyt-ipr-mus 25 mg/kg

     MUREAV    Mutation Research. 268 (1992),255.

Safety Profile

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

Specification

 4-(2-(4-Nitrophenyl)ethenyl)benzenamine , its CAS NO. is 4629-58-7, the synonyms are CCRIS 5148 ; EINECS 225-045-5 ; 4-(4-Nitrostyryl)aniline ; 4-Amino-4'-nitrostilbene ; Benzenamine, 4-(2-(4-nitrophenyl)ethenyl)- .