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 ℃ (20 mmHg)
Purity:	98 %
Density:	1.541 g/cm³
Appearance:	Colorless to light yellow liqui
MDL:	MFCD00000340
LogP:	2.72060

Publication Number	Title	Priority Date
CN-113292510-A	Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof	20210607
CN-112679400-A	Psamaplin A derivative and preparation method and application thereof	20201225
CN-112047928-A	Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof	20200914
CN-111995567-A	Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof	20200724
CN-111825619-A	Benzimidazole derivative and application thereof	20200715

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

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]
2-Amino-6-fluoropyridine
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[4185-62-0]
2-Bromo-1-nitronaphthalene
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[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
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

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