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| CAS No.: | 1885-29-6 |
|---|---|
| Name: | 2-Aminobenzonitrile |
| Article Data: | 135 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6N2 |
| Molecular Weight: | 118.138 |
| 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: | 26-36/37 |
| PSA: | 49.81000 |
| LogP: | 1.72168 |
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| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol; water at 20℃; for 0.0666667h; Sealed tube; Green chemistry; chemoselective reaction; | 99% |
| With cyclohexa-1,4-diene; 5%-palladium/activated carbon In methanol at 120℃; for 0.0833333h; Microwave irradiation; | 98% |
| With borane-ammonia complex In methanol; water at 20℃; for 0.166667h; | 98% |
- 28144-70-9
anthranilic acid amide
- 1885-29-6
anthranilic acid nitrile
| Conditions | Yield |
|---|---|
| With 3 Angstroem melecular sieves at 180 - 500℃; under 0.005 Torr; for 0.666667h; Pyrolysis; | 99% |
| With thionyl chloride In toluene at 90 - 100℃; | 91.6% |
| With oxalyl dichloride; 2,3-bis(4-methoxyphenyl)cyclopropenone; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 5h; Reflux; | 89% |
| With vanadium oxide on hydrotalcite (V/HT) In 1,3,5-trimethyl-benzene for 24h; Reflux; | 79% |
| With sieve-supported lead catalyst at 200℃; under 2250.23 Torr; for 0.3h; |
| Conditions | Yield |
|---|---|
| With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h; | 99% |
| Conditions | Yield |
|---|---|
| With C68H64Cl2N6P2Ru2(4+)*2F6P(1-)*2Cl(1-); caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; Green chemistry; | 96.2% |
| Conditions | Yield |
|---|---|
| Stage #1: potassium cyanide With acetic acid In ethylene glycol at 20℃; Sealed tube; Stage #2: 2-bromoaniline With P(t-Bu)3 Palladacycle Gen. 3; potassium acetate In 1,4-dioxane; water at 60℃; for 16h; Sealed tube; | 95% |
| Conditions | Yield |
|---|---|
| With eosin; carbon tetrabromide; N,N-dimethyl-formamide In acetonitrile at 25℃; for 14h; Irradiation; Inert atmosphere; | 93% |
| Stage #1: 2-aminobenzaldehyde oxime With triethylamine In dichloromethane at 0 - 23℃; Inert atmosphere; Stage #2: With methanesulfonyl chloride In dichloromethane at 0 - 23℃; for 5h; Inert atmosphere; | 69% |
| With formamide at 140 - 150℃; |
- 31656-77-6
2-azidobenzonitrile
- 1885-29-6
anthranilic acid nitrile
| Conditions | Yield |
|---|---|
| With Decaborane; palladium on activated charcoal In methanol at 20℃; for 2.5h; | 91% |
| With hexamethyldisilathiane In methanol for 1.5h; Ambient temperature; | 90% |
| With dicobalt octacarbonyl In water at 20℃; for 5h; | 87% |
| In decalin at 144℃; for 5h; Product distribution; | |
| With 2,6-di-tert-butyl-4-methyl-phenol In decalin at 161.3℃; Rate constant; Kinetics; Thermodynamic data; ΔEact, ΔSact, other temperatures, other solvent; |
- 603-35-0
triphenylphosphine
- 174969-51-8
N-(2-cyanophenyl)cyanothioformamide
A
- 1192690-93-9
3-amino-1H-indole-2-carbonitrile
B
- 1885-29-6
anthranilic acid nitrile
| Conditions | Yield |
|---|---|
| Stage #1: N-(2-cyanophenyl)cyanothioformamide With toluene-4-sulfonic acid In methanol at 20℃; for 0.0833333h; Stage #2: triphenylphosphine In methanol at 20℃; for 0.833333h; | A 90% B 8% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride multistep reaction; other arylmagnesium bromides; product yields; | A 89% B n/a |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; sodium fluoride; palladium diacetate In water at 150℃; for 0.333333h; | 88% |
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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.