3-Bromo-2-fluorobenzotrifluoride

Base Information

• Chemical Name: 3-Bromo-2-fluorobenzotrifluoride
• CAS No.: 144584-67-8
• Molecular Formula: C₇H₃BrF₄
• Molecular Weight: 242.998
• Hs Code.: 29039990
• European Community (EC) Number: 670-899-8
• DSSTox Substance ID: DTXSID70371274
• Wikidata: Q72455916
• Mol file: 144584-67-8.mol

Synonyms:3-Bromo-2-fluorobenzotrifluoride;144584-67-8;1-bromo-2-fluoro-3-(trifluoromethyl)benzene;2-fluoro-3-(trifluoromethyl)bromobenzene;Benzene, 1-bromo-2-fluoro-3-(trifluoromethyl)-;MFCD00070812;3-Bromo-2-fluoro-1-(trifluoromethyl)benzene;1-bromo-2-fluoro-3-trifluoromethylbenzene;SCHEMBL899344;DTXSID70371274;AKOS005258439;AC-2333;AM61774;CS-W008328;DS-12152;B3389;FT-0615139;3-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene;EN300-1590626

Chemical Property of 3-Bromo-2-fluorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 164.2 °C at 760 mmHg
• Flash Point: 68.4 °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

3-Bromo-2-fluorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-24/25-23-36

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)F)C(F)(F)F