2-Methyl-3-(trifluoromethyl)bromobenzene


Chemical Name: 2-Methyl-3-(trifluoromethyl)bromobenzene
CAS Number: 69902-83-6
Product Number: AG003HMC(AGN-PC-0KKWZP)
Synonyms:
MDL No:
Molecular Formula: C8H6BrF3
Molecular Weight: 239.0324

Identification/Properties


Properties
BP:
179.3 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Solubility:
Not miscible or difficult to mix.
Computed Properties
Molecular Weight:
239.035g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
237.96g/mol
Monoisotopic Mass:
237.96g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
155
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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