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Home> Encyclopedia > Hot Product Listed A   > Anthranilonitrile
1885-29-6 structure

Anthranilonitrile

Iupac Name:2-aminobenzonitrile
CAS No.:1885-29-6
EINECS(EC#): 217-549-9
Molecular Weight:118.139
Molecular Formula:C7H6N2 (isomer)
Names and Identifiers
Synonyms

1-amino-2-cyanobenzene 2- aminobenzenecarbonitrile 2-amino benzonitrile 2-AMINO BENZONITRILE (2-CYANO ANILINE) 2-amino-1-cyano-benzene 2-aminobenzenecarbonitrile 2-aminobenzo nitrile 2-aminobenzonitrile 2-amino-benzonitrile 2-aminobenzonitrile (anthranilonitrile) 2-Aminobenzonitrile, (Anthranilonitrile 2-aminobenzonitrile, 98% 2-Aminobenzontrile 2-Aminoobenzonitrile 2-cyananiline 2-cyano-1-aminobenzene 2-cyanoaniline 2-Cyanoaniline) 2-cyanoaniline, anthranilonitrile 2-cyanophenylamine 4-14-00-01013 (beilstein handbook reference) 5RXH2B211R A0861 AB1001657 AC1L2IY5 AC1Q4RHW AC1Q50TY ACMC-1BO7O ACT00526 AJ-15056 AK-72999 akos 91125 AKOS000120456 AM20060057 aminobenzonitrile aminobenzonitrile(2-) AN-22206 anthranilic acid nitrile Anthranilonitrile 98% Anthranilonitrile~2-Cyanoaniline ANW-23397 AS02644 AS-10868 BB_SC-4521 BBL018699 BC227634 benzonitrile, 2-amino- benzonitrile, amino- benzonitrile, o-amino- BG00600002 BP-21336 BR-72999 brn 0907187 cas-1885-29-6 CHEMBL3561681 CJ-01685 CTK0H5903 dsstox_cid_30380 dsstox_gsid_51824 DTXSID9051824 einecs 217-549-9 F0020-1996 FT-0081721 FT-0611231 HLCPWBZNUKCSBN-UHFFFAOYSA-N I01-0645 KB-74705 KSC175S0H labotest-bb ltbb000570 LS-20596 M-6151 mfcd00007631 MOLPORT-000-159-766 NCGC00357243-01 o-aminobenzonitrile o-anthranilonitrile o-cyanoaniline OR000414 ORTHO-AMINOBENZONITRILE PUBCHEM13630 RTR-008726 SBB059814 SC-17513 SCHEMBL71324 ST24027761 ST51045559 STK802207 TF10185 TL8001530 tox21_304036 TRA0053733 unii-5rxh2b211r W-107755 Z1250132250 Z-9597 ZB006720 ZINC157544

Inchi
InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
InChkey
HLCPWBZNUKCSBN-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C#N)N
Properties
Appearance
Yellow Solid
Density
1.14
Melting Point
46-50℃
Boiling Point
267-268℃
Vapour
0.00812mmHg at 25°C
Refractive Index
1.59
Flash Point
145℃
Solubility
insoluble in water
Stability
Stable under normal temperatures and pressures.
HS Code
29269095
Storage temp
Store in a cool, dry place. Store in a tightly closed container.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22
Safety Statements
S36/37
HazardClass
6.1
Safety

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?.?

Toxicity

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,

PackingGroup
III
Transport
3276
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.

Report

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

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:118.139g/mol
  • Molecular Formula:C7H6N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:118.053
  • Monoisotopic Mass:118.053
  • Complexity:133
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADAiBGAAwwIBAAACQ BiRCQACiAAAgAgAIiAAAZIgIoCKAkZGAIABgkAAIyA8QgAAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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