3,4-Dichlorobenzyl bromide

CAT: 0572-TRC-D436523-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D436523-100MGSize:100 mg

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CAS Number

18880-04-1

Hazard Statement

No Data Available

Smiles

Clc1ccc(CBr)cc1Cl

Molecular Formula

C7H5BrCl2

Molecular Weight

239.93

Shipping Conditions

Room Temperature

Chemical Information

4-(Bromomethyl)-1,2-dichlorobenzene

CAS Number	18880-04-1
PubChem CID	639726
IUPAC Name	4-(bromomethyl)-1,2-dichlorobenzene
Molecular Formula	C7H5BrCl2
Molecular Weight	239.92
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1=CC(=C(C=C1CBr)Cl)Cl

InChI

InChI=1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

InChIKey

XLWSBDFQAJXCQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18880-04-1

CID: 639726

Formula: C7H5BrCl2

MW: 239.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.92
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	237.89517
Monoisotopic Mass	237.89517
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-266876	3,4-Dichlorobenzyl bromide
sc-493283A	2,4-Dichlorobenzyl bromide
sc-485547	2,3-Dichlorobenzyl Bromide
OR111621	5-Bromo-2,4-dichlorobenzyl bromide
sc-254359	2,5-Dichlorobenzyl bromide
OR2114	2,6-Dichlorobenzyl bromide
231001	2,6-Dichlorobenzyl bromide 98+%
230963-01	2,5-Dichlorobenzyl bromide 98+% (GC)
272538-01	3,4-Dimethoxybenzyl bromide
JH289070	3,4-Dimethoxyphenethyl bromide