2-bromo-2,2-difluoroacetyl chloride

• ChemBase ID: 9864
• Molecular Formular: C2BrClF2O
• Molecular Mass: 193.3746064
• Monoisotopic Mass: 191.87891074
• SMILES: O=C(C(F)(F)Br)Cl
• Canonical SMILES: ClC(=O)C(Br)(F)F
• InChI: InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7
• InChIKey: LYJKGSALBRSKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-2,2-difluoroacetyl chloride
• IUPAC Traditional name: bromodifluoroacetyl chloride
• Synonyms: Bromodifluoroacetyl chloride; Bromo(difluoro)acetyl chloride 97%

Database IDs

• CAS Number: 3832-48-2
• MDL Number: MFCD00069081
• PubChem SID: 160973171
• PubChem CID: 520892
• Chemspider ID: 454349
• Wikipedia Title: Bromodifluoroacetyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.799372
• LogD (pH = 7.4): 1.799372
• Log P: 1.799372
• Molar Refractivity: 25.1557 cm^3
• Polarizability: 9.7323265 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 50°C; 50°C

Safety Information

• Storage Warning: CORROSIVE; Flammable/Corrosive/Harmful/Irritant/Lachrymatory/Light Sensitive/Moisture Sensitive/Keep Cold/Store under Argon
• Risk Statements: R34
• Safety Statements: S36/37/39, S45
• TSCA Listed: false

Product Information

• Purity: 97%