5-chloro-2-hydroxybenzamide

• ChemBase ID: 32176
• Molecular Formular: C7H6ClNO2
• Molecular Mass: 171.58104
• Monoisotopic Mass: 171.00870612
• SMILES: c1(C(=O)N)c(ccc(c1)Cl)O
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N)O
• InChI: InChI=1S/C7H6ClNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
• InChIKey: NNHMQZBVJPQCAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydroxybenzamide
• IUPAC Traditional name: 5-chloro-2-hydroxybenzamide
• Synonyms: 5-Chloro-2-hydroxybenzamide; 5-Chlorosalicylamide; 5-Chlorosalicylamide; 5-Chloro-2-hydroxybenzamide; 5-氯-2-羟基苯甲酰胺

Database IDs

• CAS Number: 7120-43-6
• MDL Number: MFCD00007980
• Beilstein Number: 743348
• PubChem SID: 160995483
• PubChem CID: 348094

CALCULATED PROPERTIES

• Acid pKa: 7.6832447
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7715478
• LogD (pH = 7.4): 1.593938
• Log P: 1.7743654
• Molar Refractivity: 41.9221 cm^3
• Polarizability: 15.711465 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223-226°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 96%; 97%