Structure

3-Bromophenethyl bromide

CAS
40422-70-6
Catalog Number
ACM40422706
Category
Aryl
Molecular Weight
263.96
Molecular Formula
C8H8Br2

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Specification

Synonyms
3-Bromophenethyl bromide, 40422-70-6, 3-Bromo-1-(2-bromoethyl)benzene, ACMC-20an86, SureCN705920, AGN-PC-0015YM, 653802_ALDRICH, CTK4I3061, 1-Bromo-3-(2-bromoethyl)benzene, Benzene,1-bromo-3-(2-bromoethyl)-, AKOS012020918, Benzene, 1-bromo-3-(2-bromoethyl)-, AK142066, KB-70577
IUPAC Name
1-bromo-3-(2-bromoethyl)benzene
Canonical SMILES
C1=CC(=CC(=C1)Br)CCBr
InChI Key
ZDWCLHJHUMKCQS-UHFFFAOYSA-N
Boiling Point
77-78ºC0.1 mm Hg
Flash Point
>230 °F
Density
1.725 g/mL at 25ºC
Exact Mass
261.89900
Hazard Statements
H226-H315-H319-H335
H-Bond Acceptor
0
H-Bond Donor
0
RIDADR
UN 3077 9 / PGIII
Safety Description
36/37-61
Symbol
GHS02
What is the molecular formula of 3-Bromophenethyl bromide?

The molecular formula of 3-Bromophenethyl bromide is C8H8Br2.

What is the molecular weight of 3-Bromophenethyl bromide?

The molecular weight of 3-Bromophenethyl bromide is 263.96 g/mol.

What is the IUPAC name of 3-Bromophenethyl bromide?

The IUPAC name of 3-Bromophenethyl bromide is 1-bromo-3-(2-bromoethyl)benzene.

What is the InChI of 3-Bromophenethyl bromide?

The InChI of 3-Bromophenethyl bromide is InChI=1S/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2.

What is the InChIKey of 3-Bromophenethyl bromide?

The InChIKey of 3-Bromophenethyl bromide is ZDWCLHJHUMKCQS-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Bromophenethyl bromide?

The Canonical SMILES of 3-Bromophenethyl bromide is C1=CC(=CC(=C1)Br)CCBr.

What is the CAS number of 3-Bromophenethyl bromide?

The CAS number of 3-Bromophenethyl bromide is 40422-70-6.

What is the European Community (EC) number of 3-Bromophenethyl bromide?

The European Community (EC) number of 3-Bromophenethyl bromide is 627-606-3.

Is the compound is canonicalized?

Yes, the compound is canonicalized according to PubChem.

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