Benzyl Chloride

CAT: 1596-AR-B02387-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02387-01Size:10 Units

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CAS Number

100-44-7

Synonyms

?-Chlorotoluene; (Chloromethyl) benzene.

Molecular Formula

C7H7Cl

Molecular Weight

126.58

API Name

Benzyl Chloride

Chemical Information

Benzyl Chloride

Benzyl Chloride can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	100-44-7
PubChem CID	7503
IUPAC Name	chloromethylbenzene
Molecular Formula	C7H7Cl
Molecular Weight	126.58
XLogP	2.3
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)CCl

InChI

InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

KCXMKQUNVWSEMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-44-7

CID: 7503

Formula: C7H7Cl

MW: 126.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.58
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	126.0236279
Monoisotopic Mass	126.0236279
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

Catalog	Name
AR-B05764-01	Benzal Chloride
AR-B01346	Benzoyl Chloride
AR-B01347-01	Benzoyl Chloride- (phenyl-13C6)
AR-B01345-01	4- (Trichloromethyl) benzoyl chloride
AR-M04946-01	Mivacurium Chloride Impurity 4 Chloride
AR-M04944-01	Mivacurium Chloride Impurity 2 Chloride
AR-M04945-01	Mivacurium Chloride Impurity 3 Chloride
AR-M04968-01	Mivacurium Chloride Impurity 1 Chloride
AR-N01449-01	Nicotinic Acid Benzyl Ester (Benzyl Nicotinate)
AR-B05470-01	Benzyl Alcohol

Catalog	Name
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