405280

2-Amino-4-chlorobenzonitrile

99%

• Sinónimos: 4-Chloroanthranilonitrile, 5-Chloro-2-cyanoaniline
• Fórmula lineal: H₂NC₆H₃(Cl)CN
• Número de CAS: 38487-86-4
• Peso molecular: 152.58
• Beilstein/REAXYS Number: 2085559
• EC Number: 253-967-8
• MDL number: MFCD00035927
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865306
• NACRES: NA.22

Propiedades

• Quality Level: 100
• assay: 99%
• form: powder
• mp: 157-162 °C (lit.)
• SMILES string: Nc1cc(Cl)ccc1C#N
• InChI: 1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
• InChI key: UZHALXIAWJOLLR-UHFFFAOYSA-N

Descripción

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.

Application

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

Información de seguridad

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves