3-Bromo-4-fluorophenylacetic Acid

Base Information

• Chemical Name: 3-Bromo-4-fluorophenylacetic Acid
• CAS No.: 194019-11-9
• Molecular Formula: C₈H₆BrFO₂
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 678-221-2
• DSSTox Substance ID: DTXSID80392293
• Nikkaji Number: J2.650.127J
• Wikidata: Q72456375
• Mol file: 194019-11-9.mol

Synonyms:3-Bromo-4-fluorophenylacetic Acid;194019-11-9;2-(3-bromo-4-fluorophenyl)acetic acid;Benzeneacetic acid, 3-bromo-4-fluoro-;MFCD04038373;(3-Bromo-4-fluoro-phenyl)-acetic acid;SCHEMBL77380;DTXSID80392293;XXFGIJYSXNXNAU-UHFFFAOYSA-N;AKOS000152905;AC-4184;CS-W007630;DS-0841;PS-7691;SY018603;AM20060019;B2976;FT-0649151;EN300-50849;A21792;(3-Bromo-4-fluorophenyl)acetic acid, AldrichCPR;Z285131564

Chemical Property of 3-Bromo-4-fluorophenylacetic Acid

Chemical Property:

• Vapor Pressure: 8.55E-05mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.57
• Boiling Point: 326.8 °C at 760 mmHg
• PKA: 4.09±0.10(Predicted)
• Flash Point: 151.444 °C
• PSA: 37.30000
• Density: 1.698 g/cm³
• LogP: 2.21530
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-4-fluorophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)Br)F
• Uses: 3-Bromo-4-fluorophenylacetic Acid is used as a reagent in the preparation of 4-oxo-1,4-dihydripyridine-3-carboxamide derivatives as inhibitors of Axl tyrosine kinase and anticancer agents.