2-amino-5-chlorobenzamide

• ChemBase ID: 78756
• Molecular Formular: C7H7ClN2O
• Molecular Mass: 170.59628
• Monoisotopic Mass: 170.02469053
• SMILES: O=C(c1c(ccc(c1)Cl)N)N
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: DNRVZOZGQHHDAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chlorobenzamide
• IUPAC Traditional name: benzamide, 2-amino-5-chloro-
• Synonyms: 2-amino-5-chlorobenzamide; 5-Chloroanthranilamide; 2-Amino-5-chlorobenzamide; 2-氨基-5-氯苯甲酰胺

Database IDs

• CAS Number: 5202-85-7
• EC Number: 225-990-3
• MDL Number: MFCD00017126
• Beilstein Number: 743347
• PubChem SID: 162043519
• PubChem CID: 78876

CALCULATED PROPERTIES

• Acid pKa: 14.478691
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2488687
• LogD (pH = 7.4): 1.2490032
• Log P: 1.2490048
• Molar Refractivity: 44.6416 cm^3
• Polarizability: 16.207764 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-173°C; 172 - 174°C
• Hydrophobicity(logP): 1.209

Safety Information

• RTECS: CU9090000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98+%