3-Fluorobenzyl bromide - CAS 456-41-7

Catalog:	BB025954
Product Name:	3-Fluorobenzyl bromide
CAS:	456-41-7
Synonyms:	1-(bromomethyl)-3-fluorobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(bromomethyl)-3-fluorobenzene
Description:	3-Fluorobenzyl bromide (CAS# 456-41-7) is a substituted benzyl bromide used as a reagent in the preparation of wide range of biologically active compounds such as antidiabetic drugs, anti-virals and anti-cancer agents.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	C1=CC(=CC(=C1)F)CBr
InChI:	InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChI Key:	SCBZBMXPJYMXRC-UHFFFAOYSA-N
Boiling Point:	88 °C (20 mmHg)
Purity:	98 %
Density:	1.541 g/cm³
Appearance:	Colorless to light yellow liqui
MDL:	MFCD00000340
LogP:	2.72060

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PMID	Publication Date	Title	Journal
21577798	20090905	2-Chloro-1-(3-fluoro-benz-yloxy)-4-nitro-benzene	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.96369
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.96369
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9