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2-Fluoro-5-(trifluoromethyl)benzyl Bromide

2-Fluoro-5-(trifluoromethyl)benzyl Bromide - CAS 220239-69-0

Catalog:	BB017293
Product Name:	2-Fluoro-5-(trifluoromethyl)benzyl Bromide
CAS:	220239-69-0
Synonyms:	2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene; 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene
Description:	2-Fluoro-5-(trifluoromethyl)benzyl Bromide (CAS# 220239-69-0) is a useful research chemical.
Molecular Weight:	257.02
Molecular Formula:	C8H5BrF4
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)CBr)F
InChI:	InChI=1S/C8H5BrF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChI Key:	BYRMZRWUEAESEZ-UHFFFAOYSA-N
Boiling Point:	188.3 °C at 760 mmHg
Density:	1.64 g/cm³
MDL:	MFCD00061174
LogP:	3.73940

Publication Number	Title	Priority Date
KR-20210085369-A	1,2,3-Triazole Derivative Compounds as HSP90 Inhibitor, and the Use Thereof	20191230
WO-2021137665-A1	1, 2, 3-triazole derivative compound as hsp90 inhibitor, and use thereof	20191230
KR-20210076693-A	Fused pyrimidine derivatives substituted with a nitrogen-containing heterocyclic ring and their pharmaceutical use	20191216
WO-2020243027-A1	Compounds, compositions, and methods of use	20190524
EP-3350187-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915

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Related Functional Groups

Halides

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501
Signal Word:	Danger

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.95108
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.95108
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5