Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-


Chemical Name: Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-
CAS Number: 402-49-3
Product Number: AG0033U8(AGN-PC-0JLO87)
Synonyms:
MDL No:
Molecular Formula: C8H6BrF3
Molecular Weight: 239.0324

Identification/Properties


Properties
MP:
29-33 °C(lit.)
BP:
202.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Lachrymatory
Refractive Index:
n20/D 1.484(lit.)
Computed Properties
Molecular Weight:
239.035g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
237.96g/mol
Monoisotopic Mass:
237.96g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
136
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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