2-chloro-2,2-difluoroacetyl chloride

• ChemBase ID: 8602
• Molecular Formular: C2Cl2F2O
• Molecular Mass: 148.9236064
• Monoisotopic Mass: 147.92942642
• SMILES: O=C(C(Cl)(F)F)Cl
• Canonical SMILES: ClC(=O)C(Cl)(F)F
• InChI: InChI=1S/C2Cl2F2O/c3-1(7)2(4,5)6
• InChIKey: AZPWOLJQERBBBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2,2-difluoroacetyl chloride
• IUPAC Traditional name: 2-chloro-2,2-difluoroacetyl chloride
• Synonyms: Chlorodifluoroacetyl chloride; Chlorodifluoroacetyl chloride 97%

Database IDs

• CAS Number: 354-24-5
• MDL Number: MFCD00039317
• PubChem SID: 160971909
• PubChem CID: 67713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6489992
• LogD (pH = 7.4): 1.6489992
• Log P: 1.6489992
• Molar Refractivity: 22.3472 cm^3
• Polarizability: 8.4587 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49-50°C

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Lachrymatory/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC1753J

Cylinder - 1/4" NPT connection