4-Fluoro-2-(trifluoromethyl)benzyl bromide - CAS 206860-48-2

Catalog:	BB016151
Product Name:	4-Fluoro-2-(trifluoromethyl)benzyl bromide
CAS:	206860-48-2
Synonyms:	1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene
Description:	4-Fluoro-2-(trifluoromethyl)benzyl bromide (CAS# 206860-48-2 ) is a useful research chemical.
Molecular Weight:	257.02
Molecular Formula:	C8H5BrF4
Canonical SMILES:	C1=CC(=C(C=C1F)C(F)(F)F)CBr
InChI:	InChI=1S/C8H5BrF4/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChI Key:	JMNOONULDANZRZ-UHFFFAOYSA-N
Boiling Point:	197.1 °C at 760 mmHg
Purity:	95 %
Density:	1.665 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00061176
LogP:	3.73940

Publication Number	Title	Priority Date
US-2021094973-A1	Heterocyclic compounds	20190924
WO-2021058445-A1	New heterocyclic monoacylglycerol lipase (magl) inhibitors	20190924
WO-2020243027-A1	Compounds, compositions, and methods of use	20190524
WO-2020223136-A1	Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors	20190502
CN-110872297-A	Aminopyrimidine five-membered heterocyclic compound, intermediate thereof, preparation method, pharmaceutical composition and application	20180904

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Related Functional Groups

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Other Pyrimidines

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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:	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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5