4-Bromo-3,5-difluorobenzoic acid

Base Information

• Chemical Name: 4-Bromo-3,5-difluorobenzoic acid
• CAS No.: 651027-00-8
• Molecular Formula: C7H3BrF2O2
• Molecular Weight: 236.99800
• Hs Code.: 2916399090
• European Community (EC) Number: 832-117-5
• DSSTox Substance ID: DTXSID60465479
• Nikkaji Number: J2.011.020A
• Wikidata: Q82291455
• Mol file: 651027-00-8.mol

Synonyms:4-Bromo-3,5-difluorobenzoic acid;651027-00-8;MFCD18917156;Benzoic acid, 4-bromo-3,5-difluoro-;4-Bromo-3,5-difluorobenzoicacid;SCHEMBL4338424;DTXSID60465479;CL9597;AKOS016006471;AC-28620;DS-16524;SY036158;CS-0028265;4-Bromo-3,5-difluorobenzoic acid, AldrichCPR;EN300-171067

Chemical Property of 4-Bromo-3,5-difluorobenzoic acid

Chemical Property:

• Melting Point: 181-185℃
• Boiling Point: 284.4±40.0 °C(Predicted)
• PKA: 3.29±0.10(Predicted)
• PSA: 37.30000
• Density: 1.872±0.06 g/cm3(Predicted)
• LogP: 2.42550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.92845
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99%min ^*data from raw suppliers

4-Bromo-3,5-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)Br)F)C(=O)O
• Uses: It is used as a pharmaceutical intermediate.