3-Bromobenzyl chloride - CAS 932-77-4

Catalog:	BB040834
Product Name:	3-Bromobenzyl chloride
CAS:	932-77-4
Synonyms:	1-bromo-3-(chloromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-(chloromethyl)benzene
Description:	3-Bromobenzyl chloride (CAS# 932-77-4) is a useful research chemical.
Molecular Weight:	205.48
Molecular Formula:	C7H6BrCl
Canonical SMILES:	C1=CC(=CC(=C1)Br)CCl
InChI:	InChI=1S/C7H6BrCl/c8-7-3-1-2-6(4-7)5-9/h1-4H,5H2
InChI Key:	UDKGXKYEWBGQCG-UHFFFAOYSA-N
Boiling Point:	116-118 ℃ (17 mmHg)
Melting Point:	32.5 ℃
Purity:	95 %
Density:	1.608 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	Inert atmosphere, 2-8 ℃
MDL:	MFCD00040865
LogP:	3.18790

Publication Number	Title	Priority Date
WO-2021020929-A1	Compound and organic light emitting device comprising same	20190801
CN-110156757-B	Tetrazole type xanthine oxidase inhibitor compound and preparation method and application thereof	20190606
WO-2020239074-A1	Bicyclic compound as rip-1 kinase inhibitor and application thereof	20190531
CN-112010804-A	Triaryl compound and preparation method and pharmaceutical application thereof	20190531
CN-110002975-A	The preparation method and application of the substitution halogen phenylacetone of 1,3- bis-	20190508

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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:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.93414
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.93414
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3