2,3,4,5,6-Pentafluorobenzyl bromide - CAS 1765-40-8

Name: 2,3,4,5,6-Pentafluorobenzyl bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013231
Product Name:	2,3,4,5,6-Pentafluorobenzyl bromide
CAS:	1765-40-8
Synonyms:	1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
Description:	α-Bromo-2,3,4,5,6-pentafluorotoluene, can be used as an organic fluorinated building blocks for chemical synthesis.
Molecular Weight:	260.99
Molecular Formula:	C7H2BrF5
Canonical SMILES:	C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
InChI:	InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChI Key:	XDEPVFFKOVDUNO-UHFFFAOYSA-N
Boiling Point:	174-175 °C
Melting Point:	19-175 °C
Purity:	95 %
Density:	1.728 g/cm³
Appearance:	Clear colourless to yellowish liquid
MDL:	MFCD00000299
LogP:	3.27700

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H314 (98.08%): 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, P337+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113340660-A	Method for detecting content of phenolic compounds in water	20210625
CN-113466357-A	Method for detecting gamma-hydroxybutyric acid component in sample	20210603
CN-113189254-A	Determination method based on volatile thiol compounds in white spirit	20210508
CZ-34625-U1	Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas	20201026
CN-112345672-A	Method for extracting fatty acid substances in serum	20201022

PMID	Publication Date	Title	Journal
22858756	20121101	Stable isotope gas chromatography-tandem mass spectrometry determination of aminoethylcysteine ketimine decarboxylated dimer in biological samples	Analytical biochemistry
22941221	20121101	Simultaneous determination of cyanide and thiocyanate in plasma by chemical ionization gas chromatography mass-spectrometry (CI-GC-MS)	Analytical and bioanalytical chemistry
22455950	20120601	Urinary concentrations of organophosphorus insecticide metabolites in Japanese workers	Chemosphere
22367332	20120401	Determination of pharmaceuticals and antiseptics in water by solid-phase extraction and gas chromatography/mass spectrometry: analysis via pentafluorobenzylation and stable isotope dilution	Analytical and bioanalytical chemistry
22262450	20120101	Measurement of nitrite in urine by gas chromatography-mass spectrometry	Methods in molecular biology (Clifton, N.J.)

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.92600
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.92600
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3