3-Bromobenzyl bromide

CAT: 0127-OR6706-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR6706-01Size:5 g

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CAS Number

823-78-9

Synonyms

Alpha,3-Dibromotoluene, 1-Bromo-3- (bromomethyl) benzene

MDL Number

MFCD00000176

Purity

98%

Smiles

BrCc1cccc(Br)c1

Chemical Information

3-Bromobenzyl bromide

CAS Number	823-78-9
PubChem CID	69979
IUPAC Name	1-bromo-3-(bromomethyl)benzene
Molecular Formula	C7H6Br2
Molecular Weight	249.93
XLogP	3.5
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	83

SMILES

C1=CC(=CC(=C1)Br)CBr

InChI

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

InChIKey

ZPCJPJQUVRIILS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 823-78-9

CID: 69979

Formula: C7H6Br2

MW: 249.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.93
XLogP3	3.5
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	83
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
OR13169-01	4-Bromobenzyl bromide
OR4356-01	2-Bromobenzyl bromide
OR79320-01	(4-Bromobenzyl) triphenylphosphonium bromide
OR72611-01	(4-Bromobenzyl) triphenylphosphonium Bromide
OR1082381	(3-Bromobenzyl) -diisopropylamine
OR4547	3-Bromobenzyl chloride
OR1021468	3-Bromobenzyl thiocyanate
PC56792-01	3-Bromobenzyl fluoride
OR5020-01	3-Bromobenzyl alcohol
OR1095864	(3-Bromobenzyl) -diethylamine

Catalog	Name
TRC-B680508-2.5G	3-Bromobenzyl bromide
FB30524	4-Bromobenzyl bromide
abx183126-01	2-Bromobenzyl bromide
B19065-01	O-Bromobenzyl bromide 98%
431244-01	(4-Bromobenzyl) triphenylphosphonium Bromide
230054-01	2-Bromobenzyl bromide 98+%
abx186090-01	(4-Bromobenzyl)Triphenylphosphonium Bromide