3-Bromophenethyl bromide - CAS 40422-70-6

Catalog:	BB024494
Product Name:	3-Bromophenethyl bromide
CAS:	40422-70-6
Synonyms:	1-bromo-3-(2-bromoethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-(2-bromoethyl)benzene
Description:	3-Bromophenethyl bromide (CAS# 40422-70-6 ) is a useful research chemical.
Molecular Weight:	263.96
Molecular Formula:	C8H8Br2
Canonical SMILES:	C1=CC(=CC(=C1)Br)CCBr
InChI:	InChI=1S/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChI Key:	ZDWCLHJHUMKCQS-UHFFFAOYSA-N
Boiling Point:	77-78 ℃ / 0.1 mmHg
Density:	1.725 g/cm³
Appearance:	Colorless to orange liquid
MDL:	MFCD07784359
LogP:	3.38650

Publication Number	Title	Priority Date
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
TW-202024065-A	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
US-2021032253-A1	Pyrazolo[1,5-a][1,3,5]triazine-2-amine derivative, preparation method therefor and medical use thereof	20180206

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	93.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.89723
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.89928
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6