2-Bromobenzyl bromide - CAS 3433-80-5

Catalog:	BB022081
Product Name:	2-Bromobenzyl bromide
CAS:	3433-80-5
Synonyms:	1-bromo-2-(bromomethyl)benzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-bromo-2-(bromomethyl)benzene
Description:	2-Bromobenzyl bromide (CAS# 3433-80-5) is a reactant in the synthesis of 1-Benzyl-1H-pyrazole derivatives as receptor interacting protein 1 kinase inhibitors.
Molecular Weight:	249.93
Molecular Formula:	C7H6Br2
Canonical SMILES:	C1=CC=C(C(=C1)CBr)Br
InChI:	InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChI Key:	LZSYGJNFCREHMD-UHFFFAOYSA-N
Boiling Point:	129 ℃ (19 mmHg)
Melting Point:	29-32 ℃
Purity:	95 %
Density:	1.849 g/cm³
Appearance:	White to off-white powder
Storage:	0-6 ℃
MDL:	MFCD00000173
LogP:	3.34400

Publication Number	Title	Priority Date
CN-113214111-A	Preparation method of 3- (2-cyanophenyl) propionic acid and 4-cyano-1-indanone	20210430
CN-112142665-A	Natural-source thioredoxin reductase inhibitor with novel chemical type and application thereof	20200930
CN-111925349-A	Daphnetin derivative as inhibitor and application and pharmaceutical composition thereof	20200903
CN-111704559-A	Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile	20200630
CN-111533721-A	Benzopyrone or quinolinone compounds and application thereof	20200515

PMID	Publication Date	Title	Journal
22412627	20120301	rac-7-[(2E)-But-2-eno-yl]-13-chloro-N-cyclo-hexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide	Acta crystallographica. Section E, Structure reports online
21836980	20110701	3-(2-Bromo-benz-yl)-1-methyl-1H-imidazol-3-ium bromide	Acta crystallographica. Section E, Structure reports online
21587561	20100918	1,2-Bis(2-bromo-benz-yl)diselane	Acta crystallographica. Section E, Structure reports online
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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GHS Hazard Statement:	H314 (100%): 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, P363, P405, and P501
Signal Word:	Danger

Complexity:	83
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.88158
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.88363
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2