Basic information
- Name:
Anthranilonitrile
- CAS No.:
1885-29-6
- Molecular Structure:
- Formula:
- C7H6N2
- Molecular Weight:
- 118.14
- Synonyms:
- Anthranilonitrile (6CI,7CI,8CI);1-Amino-2-cyanobenzene;2-Aminobenzonitrile;2-Cyano-1-aminobenzene;2-Cyanoaniline;2-Cyanophenylamine;o-Aminobenzonitrile;o-Cyanoaniline;Benzonitrile, 2-amino-;
- EINECS:
- 217-549-9
- Density:
- 1.14g/cm3
- Melting Point:
- 45-48 °C(lit.)
- Boiling Point:
- 267.5 °C at 760 mmHg
- Flash Point:
- 122.2 °C
- Solubility:
- insoluble in water
- Appearance:
- yellow solid
- Hazard Symbols:
Xi,
T,
Xn- Risk Codes:
- 20/21/22-36/37/38-43
- Safety Description:
- 26-36/37 Details
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Chemistry
IUPAC Name: 2-Aminobenzonitrile
Molecular Structure: 
Molecular Formula: C7H6N2
Molecular Weight: 118.14
CAS NO: 1885-29-6
EINECS: 217-549-9
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 27.03 Å2
Index of Refraction: 1.59
Molar Refractivity: 34.93 cm3
Molar Volume: 103.4 cm3
Surface Tension: 54.3 dyne/cm
Density: 1.14 g/cm3
Flash Point: 122.2 °C
Enthalpy of Vaporization: 50.55 kJ/mol
Boiling Point: 267.5 °C at 760 mmHg
Vapour Pressure: 0.00812 mmHg at 25°C
Melting Point: 45-48 °C(lit.)
Water Solubility: INSOLUBLE
Appearance: Yellow Solid
SMILES: N#Cc1ccccc1N
InChI: InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
InChIKey: HLCPWBZNUKCSBN-UHFFFAOYAV
Std. InChI: InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
Std. InChIKey: HLCPWBZNUKCSBN-UHFFFAOYSA-N
Synonyms of Anthranilonitrile (CAS NO.1885-29-6): 2-Cyanoaniline ; 2-Aminobenzonitrile
Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Nitriles;Nitriles;Chemical Amines;Amines;Aromatics
Uses
Anthranilonitrile (CAS NO.1885-29-6) is used for induction of nitrilase activity in Arthrobacter. And, it is also used as radioprotective agent.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986. | |
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX00381, |
Consensus Reports
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Safety Information about Anthranilonitrile (CAS NO.1885-29-6):
Hazard Codes: 
XnXi ,
T
Risk Statements: 20/21/22-36/37/38-43
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R43: May cause sensitization by skin contact.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
RIDADR: 3276
WGK Germany: 2
RTECS: CB4575000
TSCA: T
HazardClass: 6.1
PackingGroup: III
HS Code: 29269095
Poison by intravenous route. See also NITRILES. When heated to decomposition it emits toxic fumes of NOx and CN−.
Specification
Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.
