3-Bromo-5-fluorobenzotrifluoride

Base Information

• Chemical Name: 3-Bromo-5-fluorobenzotrifluoride
• CAS No.: 130723-13-6
• Molecular Formula: C7H3BrF4
• Molecular Weight: 242.998
• Hs Code.: 29039990
• European Community (EC) Number: 642-494-6
• DSSTox Substance ID: DTXSID50371277
• Wikidata: Q72455910
• Mol file: 130723-13-6.mol

Synonyms:3-Bromo-5-fluorobenzotrifluoride;130723-13-6;1-Bromo-3-fluoro-5-(trifluoromethyl)benzene;3-Bromo-5-flurobenzotrifluoride;MFCD00042498;Benzene, 1-bromo-3-fluoro-5-(trifluoromethyl)-;3-fluoro-5-trifluoromethylbromobenzene;1-bromo-3-fluoro-5-trifluoromethyl benzene;3-Bromo-alpha,alpha,alpha,5-tetrafluorotoluene;3-bromo-5-fluoro-trifluoromethylbenzene;SCHEMBL43363;5-IODO-5-DEOXYTHYMIDINE;DTXSID50371277;5-bromo-3-fluorobenzo trifluoride;BBL102991;CL8621;STL556800;AKOS005258441;AC-4114;CS-W010270;3-Bromo-5-fluorobenzotrifluoride, 97%;3-Fluoro-5-trifluoromethyl-bromobenzene;3-fluoro-5-trifluoromethyl-bromo-benzene;3-fluoro-5-trifluoromethylphenyl bromide;DS-12431;SY018353;1-bromo-3-fluoro-5-trifluoromethylbenzene;AM20060134;B3106;BB 0262932;FT-0615177;1-bromo-3-fluoro-5-(trifluoromethyl)-benzene;EN300-37507;J-512015

Chemical Property of 3-Bromo-5-fluorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 4.75mmHg at 25°C
• Refractive Index: n20/D 1.456(lit.)
• Boiling Point: 151.087 °C at 760 mmHg
• Flash Point: 57.718 °C
• PSA: 0.00000
• Density: 1.695 g/cm³
• LogP: 3.60700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 241.93543
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-fluorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 23-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)Br)C(F)(F)F
• Uses: 3-Bromo-5-fluorobenzotrifluoride (1-Bromo-3-fluoro-5-(trifluoromethyl)benzene) may be used in the preparation of:6-(3-fluoro-5-trifluoromethylphenyl)-hex-5-ynoic acid methyl ester (E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester (E)-3-[4-(3-fluoro-5-trifluoromethylphenyl)-4-(3,4-dimethoxyphenyl)-but-3-enyl]-oxazolidin-2-one(E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-4-(2-oxo-oxazolidin-3-yl)-but-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester