4-chloro-2,5-difluorobenzoyl chloride

• ChemBase ID: 7051
• Molecular Formular: C7H2Cl2F2O
• Molecular Mass: 210.9929864
• Monoisotopic Mass: 209.94507648
• SMILES: c1c(c(cc(c1C(=O)Cl)F)Cl)F
• Canonical SMILES: Fc1cc(C(=O)Cl)c(cc1Cl)F
• InChI: InChI=1S/C7H2Cl2F2O/c8-4-2-5(10)3(7(9)12)1-6(4)11/h1-2H
• InChIKey: DFLRZGOHFNFBQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,5-difluorobenzoyl chloride
• IUPAC Traditional name: 4-chloro-2,5-difluorobenzoyl chloride
• Synonyms: 4-Chloro-2,5-difluorobenzoyl chloride; 4-Chloro-2,5-difluorobenzoyl chloride 97%

Database IDs

• CAS Number: 132794-08-2
• MDL Number: MFCD00236600
• PubChem SID: 160970358
• PubChem CID: 2736498

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.053607
• LogD (pH = 7.4): 3.053607
• Log P: 3.053607
• Molar Refractivity: 42.4103 cm^3
• Polarizability: 15.718302 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%