2,2,3,3-tetrafluoropropanoyl chloride

• ChemBase ID: 8628
• Molecular Formular: C3HClF4O
• Molecular Mass: 164.4860528
• Monoisotopic Mass: 163.96520521
• SMILES: C(C(C(=O)Cl)(F)F)(F)F
• Canonical SMILES: FC(C(C(=O)Cl)(F)F)F
• InChI: InChI=1S/C3HClF4O/c4-1(9)3(7,8)2(5)6/h2H
• InChIKey: BASQMECTPQYEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropanoyl chloride
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropanoyl chloride
• Synonyms: 2,2,3,3-Tetrafluoropropionyl chloride; 2,2,3,3-Tetrafluoropropionyl chloride; 2,2,3,3-Tetrafluoropropanoyl chloride 98%; 3H-Tetrafluoropropionyl chloride; 2,2,3,3-四氟丙酰氯

Database IDs

• CAS Number: 663-73-0
• MDL Number: MFCD00153278
• Beilstein Number: 1766339
• PubChem SID: 160971935
• PubChem CID: 2776744

CALCULATED PROPERTIES

• Acid pKa: 19.69982
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6541948
• LogD (pH = 7.4): 1.6541948
• Log P: 1.6541948
• Molar Refractivity: 21.2907 cm^3
• Polarizability: 8.318287 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 37-40°C; 38-40°C
• Density: 1.512
• Refractive Index: 1.3160; 1.325

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%