Sodium Bromodifluoroacetate

• Catalog: OFC84349279-1
• CAS: 84349-27-9
• Category: Difluoromethylation Agents
• Synonyms: Bromodifluoroacetic Acid Sodium Salt
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD04038355

• IUPAC Name: sodium;2-bromo-2,2-difluoroacetate
• InChI: InChI=1S/C2HBrF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChI Key: CAQKQIYWKXZJGD-UHFFFAOYSA-M
• Isomeric SMILES: C(=O)(C(F)(F)Br)[O-].[Na+]
• EC Number: 689-318-4
• Reaxys Registry Number: 8229431

• Molecular Formula: C2BrF2NaO2
• Molecular Weight: 196.91
• Appearance: White to almost white powder to crystaline
• Solubility: Soluble in water
• Storage: Store under inert gas
• Stability: Hygroscopic

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.89474 g/mol
• Monoisotopic Mass: 195.89474 g/mol
• Topological Polar Surface Area: 40.1Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96

• HS Number: 2915.90.5050