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2-Bromo-5-(trifluoromethyl)benzyl Bromide

2-Bromo-5-(trifluoromethyl)benzyl Bromide - CAS 886496-63-5

Catalog:	BB039093
Product Name:	2-Bromo-5-(trifluoromethyl)benzyl Bromide
CAS:	886496-63-5
Synonyms:	1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene; 1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene
Description:	2-Bromo-5-(trifluoromethyl)benzyl Bromide (CAS# 886496-63-5) is a useful research chemical compound.
Molecular Weight:	317.93
Molecular Formula:	C8H5Br2F3
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)CBr)Br
InChI:	InChI=1S/C8H5Br2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChI Key:	TXJHPBWTPBYLFP-UHFFFAOYSA-N
LogP:	4.36280

Publication Number	Title	Priority Date
CN-110577563-A	Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs	20191012
CN-110577563-B	Fluorine-containing compound, preparation method thereof and application thereof in preparation of antitumor drugs	20191012
WO-2020261114-A1	2,3-dihydroquinazolin compounds as nav1.8 inhibitors	20190627
KR-101902002-B1	Oxazolidinone derivative compounds as a CETP inhibitor	20160719
KR-20180009693-A	Oxazolidinone derivative compounds as a CETP inhibitor	20160719

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Related Functional Groups

Halides

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1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]
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2-Amino-4,5-dibromopyridine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.86896
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.87101
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1