2-Bromo-4-fluorobenzotrifluoride

Base Information

• Chemical Name: 2-Bromo-4-fluorobenzotrifluoride
• CAS No.: 351003-21-9
• Molecular Formula: C₇H₃BrF₄
• Molecular Weight: 242.998
• Hs Code.: 29039990
• European Community (EC) Number: 642-466-3
• DSSTox Substance ID: DTXSID50370568
• Nikkaji Number: J3.151.752D
• Wikidata: Q72455905
• Mol file: 351003-21-9.mol

Synonyms:2-Bromo-4-fluorobenzotrifluoride;351003-21-9;2-bromo-4-fluoro-1-(trifluoromethyl)benzene;Benzene, 2-bromo-4-fluoro-1-(trifluoromethyl)-;MFCD03094041;Menthylanthranilate;1-Bromo-2-trifluoromethyl-5-fluorobenzene;SCHEMBL457729;DTXSID50370568;2-bromo-4-fluorobenzo trifluoride;BBL101394;CL8616;STL555190;2-bromo-4-fluorotrifluoromethylbenzene;AKOS005258427;AC-2331;AM61917;CS-W005612;2-Bromo-4-fluorobenzotrifluoride, 97%;DS-12679;SY009426;2-bromo-4-fluoro-1-trifluoromethylbenzene;2-Bromo-4-fluoro-1-trifluoromethyl-benzene;A6157;A6586;B3397;FT-0644478;2-Bromo-alpha,alpha,alpha,4-tetrafluorotoluene;EN300-706001;J-508295;5-Bromo-2-fluorobenzotrifluoride

Chemical Property of 2-Bromo-4-fluorobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 2.87mmHg at 25°C
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 162.1 °C at 760 mmHg
• Flash Point: 66.7 °C
• PSA: 0.00000
• Density: 1.695 g/cm³
• LogP: 3.60700
• Storage Temp.: 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

2-Bromo-4-fluoro-1-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Br)C(F)(F)F
• Uses: 2-Bromo-4-fluorobenzotrifluoride may be used in the multi-step synthesis of (2-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperidin-4-yl-1H-imidazol-1-yl}ethyl)dimethylamine.