3,4,5-Trifluorobenzyl bromide - CAS 220141-72-0

Name: 3,4,5-Trifluorobenzyl bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017275
Product Name:	3,4,5-Trifluorobenzyl bromide
CAS:	220141-72-0
Synonyms:	5-(bromomethyl)-1,2,3-trifluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(bromomethyl)-1,2,3-trifluorobenzene
Description:	3,4,5-Trifluorobenzyl bromide (CAS# 220141-72-0) is a useful research chemical.
Molecular Weight:	225.01
Molecular Formula:	C7H4BrF3
Canonical SMILES:	C1=C(C=C(C(=C1F)F)F)CBr
InChI:	InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChI Key:	MPEKZIYOLQCWLL-UHFFFAOYSA-N
Boiling Point:	188.4 °C at 760 mmHg
Purity:	95 %
Density:	1.689 g/cm³
MDL:	MFCD00083528
LogP:	2.99880

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Halides

[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[672-45-7]C5H3F3N2O2
6-(Trifluoromethyl)uracil

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

Publication Number	Title	Priority Date
CN-110642918-A	Diosgenin derivative and preparation method and application thereof	20191012
CN-110642918-B	Diosgenin derivative and preparation method and application thereof	20191012
WO-2020198026-A1	Compounds and uses thereof	20190322
WO-2020113077-A1	Compositions and methods for modular control of bioorthogonal ligation	20181129
WO-2020113077-A9	Compositions and methods for modular control of bioorthogonal ligation	20181129

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.94485
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.94485
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8