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2,4-Dichlorophenethyl bromide

2,4-Dichlorophenethyl bromide - CAS 108649-59-8

Catalog:	BB002307
Product Name:	2,4-Dichlorophenethyl bromide
CAS:	108649-59-8
Synonyms:	1-(2-bromoethyl)-2,4-dichlorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromoethyl)-2,4-dichlorobenzene
Description:	2,4-Dichlorophenethyl bromide (CAS# 108649-59-8 ) is a useful research chemical.
Molecular Weight:	253.95
Molecular Formula:	C8H7BrCl2
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)CCBr
InChI:	InChI=1S/C8H7BrCl2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2
InChI Key:	BJTSTVKJPXWNIY-UHFFFAOYSA-N
Boiling Point:	271.622 ℃ at 760 mmHg
Purity:	95 %
Density:	1.5721 g/mL at 25 ℃(lit.)
Storage:	Sealed in dry, 2-8 ℃
MDL:	MFCD07369774
LogP:	3.93080

Publication Number	Title	Priority Date
WO-2017108972-A1	Compounds of r-(-)-(e)-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-1 -imidazolylacetonitrile-ha (luliconazole-ha) as antifungals	20151221
WO-2015101928-A1	Fused thiophene and thiazole derivatives as ror gamma modulators	20131231
KR-101252632-B1	Nitroimidazole compounds, process for the preparation thereof, and pharmaceutical composition for treating tuberculosis comprising the same	20101202
KR-20120060663-A	Nitroimidazole compound, preparation method thereof and pharmaceutical composition for treating tuberculosis comprising same	20101202
AU-2009228778-A1	Hydroxamate-based inhibitors of deacetylases B	20080326

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.91082
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.91082
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2