405280

2-Amino-4-chlorbenzonitril

99%

• Synonym(e): 5-Chlor-2-cyan-anilin
• Lineare Formel: H₂NC₆H₃(Cl)CN
• CAS-Nummer: 38487-86-4
• Molekulargewicht: 152.58
• Beilstein: 2085559
• EG-Nummer: 253-967-8
• MDL-Nummer: MFCD00035927
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24865306
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 99%
• Form: powder
• mp (Schmelzpunkt): 157-162 °C (lit.)
• Funktionelle Gruppe: chloro; nitrile
• SMILES String: Nc1cc(Cl)ccc1C#N
• InChI: 1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
• InChIKey: UZHALXIAWJOLLR-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

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.

Anwendung

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

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves