Benzyl bromide

CAT: 0024-sc-239315Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239315Size:25 g

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CAS Number

100-39-0

Chemical Information

Benzyl Bromide

Benzyl bromide is a member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine. It has a role as a lachrymator.

CAS Number	100-39-0
PubChem CID	7498
IUPAC Name	bromomethylbenzene
Molecular Formula	C7H7Br
Molecular Weight	171.03
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	55

SMILES

C1=CC=C(C=C1)CBr

InChI

InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

AGEZXYOZHKGVCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-39-0

CID: 7498

Formula: C7H7Br

MW: 171.03

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	171.03
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	169.97311
Monoisotopic Mass	169.97311
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	55.4
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

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Catalog	Name
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sc-348231A	[4- (carboxymethyl) benzyl] (triphenyl) phosphonium bromide
sc-239311A	Benzoyl bromide
sc-239311	Benzoyl bromide
sc-503441	1-Benzyl-4-carboxy-pyridinium Ethyl Ester Bromide
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Catalog	Name
OR12905-01	Benzyl bromide
442557-01	Benzyl-d7 Bromide
HY-132028-01	Benzyl-PEG6-bromide
162818	Benzyl-d5 Bromide
OR15010	Benzyl trimethylammonium bromide
GTR19260889-01	Benzyl-PEG7-bromide
LLA01310-01	Benzyl bromide-13C6
B233656	Benzyl-α,α-d2 Bromide
RM-D141602-01	Donepezil Benzyl Bromide
KAC80190-01	2- (Cyclopropyl) benzyl bromide

Benzyl bromide

Chemical Information

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