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Anthranilonitrile

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Name

Anthranilonitrile

EINECS 217-549-9
CAS No. 1885-29-6 Density 1.14g/cm3
PSA 49.81000 LogP 1.72168
Solubility insoluble in water Melting Point 45-48 °C(lit.)
Formula C7H6N2 Boiling Point 267.5 °C at 760 mmHg
Molecular Weight 118.138 Flash Point 122.2 °C
Transport Information N/A Appearance yellow solid
Safety 26-36/37 Risk Codes 20/21/22-36/37/38-43
Molecular Structure Molecular Structure of 1885-29-6 (2-Aminobenzonitrile) Hazard Symbols IrritantXi,ToxicT,HarmfulXn
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-;

Article Data 135

Anthranilonitrile Synthetic route

612-24-8

o-nitrobenzonitrile

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
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
ConditionsYield
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;
773837-37-9

sodium cyanide

615-36-1

2-bromoaniline

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h;99%
4403-69-4

2-amino-1-benzylamine

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
With C68H64Cl2N6P2Ru2(4+)*2F6P(1-)*2Cl(1-); caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; Green chemistry;96.2%

potassium cyanide

615-36-1

2-bromoaniline

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
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%
3398-07-0

2-aminobenzaldehyde oxime

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
5190-68-1

4-chloroquinazoline

phenylmagnesium bromide

A

100-52-7

benzaldehyde

B

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
With hydrogenchloride multistep reaction; other arylmagnesium bromides; product yields;A 89%
B n/a
615-43-0

2-iodophenylamine

K4[Fe(CN)6]

K4[Fe(CN)6]

1885-29-6

anthranilic acid nitrile

Conditions
ConditionsYield
With tetrabutylammomium bromide; sodium fluoride; palladium diacetate In water at 150℃; for 0.333333h;88%

Anthranilonitrile Chemical Properties

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

Anthranilonitrile Uses

 Anthranilonitrile (CAS NO.1885-29-6) is used for induction of nitrilase activity in Arthrobacter. And, it is also used as radioprotective agent.

Anthranilonitrile 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,

Anthranilonitrile Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Anthranilonitrile Safety Profile

Safety Information about Anthranilonitrile (CAS NO.1885-29-6):
Hazard Codes: HarmfulXnXi ,ToxicT
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

Anthranilonitrile 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.

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