Methyl Chlorodifluoroacetate

• Catalog: OFC1514870-1
• CAS: 1514-87-0
• Category: Difluoromethylation Agents
• Synonyms: Chlorodifluoroacetic Acid Methyl Ester
• Purity: >97.0%(GC)
• MDL Number: MFCD00000775

• IUPAC Name: methyl 2-chloro-2,2-difluoroacetate
• InChI: InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
• InChI Key: AWUPLMYXZJKHEG-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C(F)(F)Cl
• EC Number: 216-154-9
• Reaxys Registry Number: 1756072

• Molecular Formula: C3H3ClF2O2
• Molecular Weight: 144.50
• Boiling Point: 82 °C
• Flash Point: 19 °C
• Specific Gravity: 1.35
• Refractive Index: 1.35
• Appearance: Colorless to almost colorless clear liquid

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 143.9789634 g/mol
• Monoisotopic Mass: 143.9789634 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 104

• HS Number: 2915.40.5050