-
Name
1,2-Diamino-3-nitrobenzene
- EINECS 223-013-5
- CAS No. 3694-52-8
- Article Data23
- CAS DataBase
- Density 1.446 g/cm3
- Solubility
- 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;
- PSA 97.86000
- LogP 2.44480
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: 
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 NOx.
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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