2-Fluorobenzyl bromide - CAS 446-48-0

Catalog:	BB025682
Product Name:	2-Fluorobenzyl bromide
CAS:	446-48-0
Synonyms:	1-(bromomethyl)-2-fluorobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(bromomethyl)-2-fluorobenzene
Description:	2-Fluorobenzyl bromide (CAS# 446-48-0) is used in the molecular docking screening of thousands to millions of organic molecules against protein structure.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	C1=CC=C(C(=C1)CBr)F
InChI:	InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChI Key:	FFWQLZFIMNTUCZ-UHFFFAOYSA-N
Boiling Point:	84-85 °C (15 mmHg)
Purity:	95 %
Density:	1.567 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
MDL:	MFCD00000324
LogP:	2.72060

Publication Number	Title	Priority Date
CN-112812048-A	Preparation method of sodium ion channel blocker CNV1014802 hydrochloride form	20210120
CN-112679400-A	Psamaplin A derivative and preparation method and application thereof	20201225
CN-112645835-A	Preparation method of benzyloxyamine hydrochloride	20201219
CN-112047928-A	Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof	20200914
CN-111732567-A	Chromone framework-containing polycyclic compound, and preparation method and application thereof	20200617

PMID	Publication Date	Title	Journal
19105723	20090101	Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound	Journal of combinatorial chemistry
19105725	20090101	Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction	Journal of combinatorial chemistry

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Related Functional Groups

Fluorinated Building Blocks

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2-Amino-6-fluoropyridine
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3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[351-28-0]
3'-Fluoroacetanilide
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
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[1448610-48-7]
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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[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
[81290-20-2]
Trimethyl(trifluoromethyl)silane

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:	2.8