4-Bromobenzyl bromide

CAT: 0063-52617544-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-52617544-100gSize:100 g

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CAS Number

589-15-1

Molecular Formula

C7H6Br

Molecular Weight

249.93

Formulation

C7H6Br

Chemical Information

4-Bromobenzyl bromide

CAS Number	589-15-1
PubChem CID	68527
IUPAC Name	1-bromo-4-(bromomethyl)benzene
Molecular Formula	C7H6Br2
Molecular Weight	249.93
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	75

SMILES

C1=CC(=CC=C1CBr)Br

InChI

InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChIKey

YLRBJYMANQKEAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-15-1

CID: 68527

Formula: C7H6Br2

MW: 249.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.93
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	249.88158
Monoisotopic Mass	247.88363
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	75
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
263667-01	4-Bromobenzyl bromide
431244-01	(4-Bromobenzyl) triphenylphosphonium Bromide
abx186090-01	(4-Bromobenzyl)Triphenylphosphonium Bromide
431243-01	4-Bromobenzyl-d6 Bromide
232980	4-Bromobenzyl bromide 98+%
431242-01	4-Bromobenzyl-d4 Bromide
264202-01	3-Bromobenzyl bromide
abx183126-01	2-Bromobenzyl bromide