4-Bromo-4,4-difluorobutanoic acid

Base Information

• Chemical Name: 4-Bromo-4,4-difluorobutanoic acid
• CAS No.: 147345-36-6
• Molecular Formula: C4H5 Br F2 O2
• Molecular Weight: 202.98
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID40371246
• Wikidata: Q82158525
• Mol file: 147345-36-6.mol

Synonyms:4-bromo-4,4-difluorobutanoic acid;147345-36-6;4-Bromo-4,4-difluorobutyric acid;4-BROMO-4,4-DIFLUOROBUTYRICACID;Butanoic acid, 4-bromo-4,4-difluoro-;SCHEMBL7023611;DTXSID40371246;AKOS034834171;4-Bromo-4,4-difluorobutyric acid 97%;4-bromanyl-4,4-bis(fluoranyl)butanoic acid;FT-0617838;EN300-650564;A808638

Chemical Property of 4-Bromo-4,4-difluorobutanoic acid

Chemical Property:

• Vapor Pressure: 0.0512mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 217.2°Cat760mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 85.2°C
• PSA: 37.30000
• Density: 1.791g/cm³
• LogP: 1.83890
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.94410
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99%min ^*data from raw suppliers

4-BROMO-4,4-DIFLUOROBUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(F)(F)Br)C(=O)O