2-chloro-2-fluoroacetyl chloride

• ChemBase ID: 97239
• Molecular Formular: C2HCl2FO
• Molecular Mass: 130.9331432
• Monoisotopic Mass: 129.93884823
• SMILES: ClC(=O)C(Cl)F
• Canonical SMILES: ClC(=O)C(Cl)F
• InChI: InChI=1S/C2HCl2FO/c3-1(5)2(4)6/h1H
• InChIKey: VZJVRCWSIVAASQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-fluoroacetyl chloride
• IUPAC Traditional name: 2-chloro-2-fluoroacetyl chloride
• Synonyms: Chloro(fluoro)acetyl chloride 98%

Database IDs

• CAS Number: 359-32-0
• MDL Number: MFCD01861134
• PubChem SID: 162083850
• PubChem CID: 3013861

CALCULATED PROPERTIES

• Acid pKa: 13.92695
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1580851
• LogD (pH = 7.4): 1.158085
• Log P: 1.1580851
• Molar Refractivity: 21.5595 cm^3
• Polarizability: 8.39983 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 69°C

Safety Information

• Storage Warning: Corrosive/Irritant/Lachrymatory/Stench/Moisture Sensitive/Store under Argon