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

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]C7H6F2
2,4-Difluorotoluene

Halides

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1431966-58-3]C8H18Cl2F2N2O
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[393841-81-1]C33H31Br
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

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