5-chloro-2-fluorobenzamide

• ChemBase ID: 7154
• Molecular Formular: C7H5ClFNO
• Molecular Mass: 173.5721032
• Monoisotopic Mass: 173.00436969
• SMILES: c1(ccc(c(c1)C(=O)N)F)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N)F
• InChI: InChI=1S/C7H5ClFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
• InChIKey: VTSILFLCXIRODM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluorobenzamide
• IUPAC Traditional name: 5-chloro-2-fluorobenzamide
• Synonyms: 5-Chloro-2-fluorobenzamide; 5-Chloro-2-fluorobenzamide 97%; 5-Chloro-2-fluorobenzamide; 5-氯-2-氟苯甲酰胺

Database IDs

• CAS Number: 261762-57-6
• MDL Number: MFCD01631435
• PubChem SID: 160970461
• PubChem CID: 2773592

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.5706327
• LogD (pH = 7.4): 1.5706366
• Log P: 1.5706327
• Molar Refractivity: 40.1576 cm^3
• Polarizability: 14.838537 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.395345
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 134-137°C; 134-138°C

Safety Information

• Storage Warning: IRRITANT; 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: 97%; 97+%