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Name	1,2-Diamino-3-nitrobenzene	EINECS	223-013-5
CAS No.	3694-52-8	Density	1.446 g/cm³
PSA	97.86000	LogP	2.44480
Solubility	N/A	Melting Point	156-159 °C
Formula	C₆H₇N₃O₂	Boiling Point	369.7 °C at 760 mmHg
Molecular Weight	153.14	Flash Point	177.4 °C
Transport Information	UN 2811	Appearance	dark red needle-like crystals
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	o-Phenylenediamine,3-nitro- (6CI,7CI,8CI);3-Nitro-o-phenylenediamine;2-Amino-3-nitroaniline;2-Amino-6-nitroaniline;3-Nitro-1,2-benzenediamine;3-Nitro-1,2-diaminobenzene;3-Nitro-1,2-phenylenediamine;	Article Data	23

1,2-Diamino-3-nitrobenzene Chemical Properties

Molecule structure of 3-Nitro-o-phenylenediamine (CAS NO.3694-52-8):

IUPAC Name: 3-Nitrobenzene-1,2-diamine
Molecular Weight: 153.13868 g/mol
Molecular Formula: C₆H₇N₃O₂
Density: 1.446 g/ml
Flash Point: 177.4 °C
Boiling Point: 369.7 °C
Melting Point: 156-159 °C
Index of Refraction: 1.708
Molar Refractivity: 41.27 cm³
Molar Volume: 105.8 cm³
XLogP3: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 153.053826
MonoIsotopic Mass: 153.053826
Topological Polar Surface Area: 95.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
InChI: InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2
InChIKey: IOCXBXZBNOYTLQ-UHFFFAOYSA-N
EINECS: 223-013-5
Product Categories: Aromatic Building Blocks

1,2-Diamino-3-nitrobenzene Toxicity Data With Reference

1.	mic-sat 59 µmol/L	ENMUDM Environmental Mutagenesis. 3 (1981),11.
2.	mic-sat 30 µLg/plate	EMMUEG Environmental and Molecular Mutagenesis. 27 (1996),67.
3.	msc-mus-lym 50 mg/L	MUREAV Mutation Research. 125 (1984),291.
4.	cyt-ham-ovr 87 mg/L	EMMUEG Environmental and Molecular Mutagenesis. 27 (1996),67.
5.	mic-sat 300 µLg/plate	FCTOD7 Food and Chemical Toxicology. 38 (2000),1.

1,2-Diamino-3-nitrobenzene Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
RTECS: ST2974000
F: 10
Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.

1,2-Diamino-3-nitrobenzene Specification

3-Nitro-o-phenylenediamine (CAS NO.3694-52-8) is also named as 1,2-Diamino-3-nitrobenzene ; 2-Amino-6-nitroaniline ; 3-13-00-00061 (Beilstein Handbook Reference) ; 3-Nitro-1,2-benzenediamine ; 3-Nitro-1,2-phenylenediamine ; 3-Nitrophenylenediamine ; BRN 0909344 ; CCRIS 5427 ; NSC 84243 . 3-Nitro-o-phenylenediamine (CAS NO.3694-52-8) is dark red needle-like crystals.

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