4-Amino-2-chlorobenzonitrile

• CAS: 20925-27-3
• Catalog Number: ACM20925273
• Category: Solvents
• Molecular Weight: 152.58
• Molecular Formula: C7H5ClN2
• Description: 4-Amino-2-chlorobenzonitrile is commonly used as an organic reagent.
• Synonyms: Benzonitrile,4-amino-2-chloro; 4-amino-2-chlorobenzenecarbonitrile; 4-amino-2-chloro-benzonitrile
• IUPAC Name: 4-amino-2-chlorobenzonitrile
• Canonical SMILES: NC1=CC=C(C#N)C(Cl)=C1
• InChI: 1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
• InChI Key: ZFBKYGFPUCUYIF-UHFFFAOYSA-N
• Boiling Point: 339.5±27.0 °C at 760 mmHg
• Melting Point: 116-118 °C(lit.)
• Flash Point: 159.1±23.7 °C
• Density: 1.3±0.1 g/cm³
• Application: 4-Amino-2-chlorobenzonitrile has been used in the preparation of methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate.
• Assay: 0.99
• Beilstein: 2936425
• Color: Yellow to pale brown
• EC Number: 244-114-0
• Exact Mass: 152.01413
• Form: Powder or lumps
• Hazard Codes: Xn:Harmful
• Hazard Statements: H317
• LogP: 1.92
• MDL Number: MFCD00035926
• NACRES: NA.22
• PSA: 49.81
• PubChem ID: 24856847
• Refractive Index: 1.61
• Vapor Pressure: 0.0±0.7 mmHg at 25°C
• WGK Germany: 3