2-Nitro-4-aminodiphenylamine (2784-89-6),2-Nitro-4-aminodiphenylamine (2784-89-6) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2-Nitro-4-aminodiphenylamine
CAS No.:
2784-89-6
Molecular Structure:
Formula:
C₁₂H₁₁N₃O₂
Molecular Weight:
229.26
Synonyms:
p-Phenylenediamine,2-nitro-N1-phenyl- (7CI,8CI);1-Anilino-4-amino-2-nitrobenzene;2-Nitro-4-amino-N-phenylaniline;4-Amino-2-nitrodiphenylamine;HC Red 1;HC RedNo. 1;
EINECS:
220-494-3
Density:
1.351 g/cm³
Melting Point:
228-231 °C
Boiling Point:
417.6 °C at 760 mmHg
Flash Point:
206.4 °C
Appearance:
Green-brown crystal powder

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Chemistry

Molecular Structure of 2-Nitro-4-aminodiphenylamine (CAS NO.2784-89-6):

IUPAC Name: 2-nitro-1-N-phenylbenzene-1,4-diamine
Empirical Formula: C₁₂H₁₁N₃O₂
Molecular Weight: 229.2346
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 52.3 Å²
Index of Refraction: 1.711
Molar Refractivity: 66.4 cm³
Molar Volume: 169.5 cm³
Surface Tension: 65.2 dyne/cm
Density: 1.351 g/cm³
Flash Point: 206.4 °C
Enthalpy of Vaporization: 67.1 kJ/mol
Boiling Point: 417.6 °C at 760 mmHg
Vapour Pressure: 3.49E-07 mmHg at 25°C
EINECS: 220-494-3
Melting Point: 228-231 °C
Classification Code: Skin / Eye Irritant
InChI
InChI=1/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2
Smiles
O=[N+]([O-])c1c(Nc2ccccc2)ccc(N)c1

Toxicity Data With Reference

1.		eye-rbt 100 mg MLD		JACTDZ Journal of the American College of Toxicology. 15 (1996),320.
2.		orl-rat LDLo:1250 mg/kg		JACTDZ Journal of the American College of Toxicology. 15 (1996),320.

Safety Profile

Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic vapors of NO_x.

Specification

2-Nitro-4-aminodiphenylamine , with CAS number of 2784-89-6, can be called 2-Nitro-N(sup 1)-phenyl-1,4-benzenediamine ; 4-Amino-2-nitrodiphenylamine ; p-Phenylenediamine, 2-nitro-N(sup 1)-phenyl- . It is a green-brown crystal powder.