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38487-86-4

38487-86-4 Structure

38487-86-4 Structure
IdentificationMore
[Name]

2-Amino-4-chlorobenzonitrile
[CAS]

38487-86-4
[Synonyms]

2-AMINO-4-CHLOROBENZONITRILE
4-CHLORO-2-AMINOBENZONITRILE
4-CHLOROANTHRANILONITRILE
5-CHLORO-2-CYANOANILINE
2-amino-4-chloro-benzonitril
2-AMINO-4-CHLOROBENZONITRILE(5-CHLORO-2-CYANOANILINE )
2-AMINO-4-CHLOROBENZONITRILE PURUM 97%
4-Chloroanthranilonitrile, 5-Chloro-2-cyanoaniline
[EINECS(EC#)]

253-967-8
[Molecular Formula]

C7H5ClN2
[MDL Number]

MFCD00035927
[Molecular Weight]

152.58
[MOL File]

38487-86-4.mol
Chemical PropertiesBack Directory
[Melting point ]

157-162 °C(lit.)
[Boiling point ]

305.8±27.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

RT, protect from light
[form ]

powder to crystal
[pka]

0.76±0.10(Predicted)
[color ]

Light orange to Yellow to Green
[BRN ]

2085559
[InChI]

1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
[InChIKey]

UZHALXIAWJOLLR-UHFFFAOYSA-N
[SMILES]

Nc1cc(Cl)ccc1C#N
[CAS DataBase Reference]

38487-86-4(CAS DataBase Reference)
[EPA Substance Registry System]

38487-86-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:
  • 6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
  • 7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
  • 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline
  • 6-chlorotacrine
  • N-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide
[General Description]

2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO2 in the presence of monomeric tungstate, TBA2[WO4] (TBA = tetra-n-butylammonium) has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-4-chlorobenzonitrile(38487-86-4)1HNMR
2-Amino-4-chlorobenzonitrile(38487-86-4)FT-IR
2-Amino-4-chlorobenzonitrile(38487-86-4)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Amino-4-chlorobenzonitrile, 97%(38487-86-4)
[Sigma Aldrich]

38487-86-4(sigmaaldrich)
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