4-Cyanobenzyl Bromide

CAT: 1299-RG-C251400-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-C251400-01Size:10 mg

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CAS Number

17201-43-3

Synonyms

α-Bromo-p-tolylnitrile; α-Bromo-p-tolunitrile

Molecular Formula

C8H6BrN

Molecular Weight

196.04

Product Name Synonym

α-Bromo-p-tolylnitrile; α-Bromo-p-tolunitrile

Chemical Information

4-(Bromomethyl)benzonitrile

CAS Number	17201-43-3
PubChem CID	86996
IUPAC Name	4-(bromomethyl)benzonitrile
Molecular Formula	C8H6BrN
Molecular Weight	196.04
XLogP	2.2
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	139

SMILES

C1=CC(=CC=C1CBr)C#N

InChI

InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

InChIKey

UMLFTCYAQPPZER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17201-43-3

CID: 86996

Formula: C8H6BrN

MW: 196.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.04
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.96836
Monoisotopic Mass	194.96836
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
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
RG-A262289-01	4-Bromophenacyl Bromide
RG-E140427-01	4-bromobutanoyl bromide
RM-P252004-01	Pyridostigmine Bromide Impurity 4
RM-U130504-01	Umeclidinium Bromide Impurity 4
RM-B130104-01	Bencycloquidium Bromide Impurity 4
RM-N051504-01	Neostigmine Bromide Impurity 4
RM-P092704-01	Pinaverium Bromide Impurity 4
RM-G122719-01	Glycopyrronium Bromide Impurity 4
RM-A032104-01	Aclidinium Bromide Impurity 4
RG-C040600-01	4-Chloro-2-Fluorobenzyl Bromide

Catalog	Name
MBS6060699-01	4-Cyanobenzyl Bromide
415870-01	2-Bromo-4-cyanobenzyl bromide
OR24959	(4-Cyanobenzyl) (triphenyl) phosphonium bromide
OR23492	Tributyl (4-cyanobenzyl) phosphonium bromide
1032530 500	4-Cyanobenzyl bromide (4- (Bromomethyl) -benzonitrile)
425269-01	3-Cyanobenzyl Bromide
C962366	3-Cyanobenzyl-d6 Bromide
269620-01	2-Cyanobenzyl bromide discontinued
C28290-01	P-Cyanobenzyl bromide 99%
OR28439	3- (aminocarbonyl) -1- (3-cyanobenzyl) pyridinium bromide