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2-Methylbenzyl chloride

CAT: 0926-FM36760-01Size: 5 KgDry Ice: NoHazardous: No
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CAT#:0926-FM36760-01Size:5 Kg
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CAS Number
552-45-4
MDL Number
MFCD00000899
Smiles
CC1=CC=CC=C1CCl
Molecular Formula
C8H9Cl
Molecular Weight
140.61 g/mol
Controlled
No

Chemical Information

alpha-Chloro-o-xylene

O-methylbenzyl chloride appears as a colorless to pale-yellow colored liquid with a pungent odor. Insoluble in water. Slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

CAS Number552-45-4
PubChem CID11093
IUPAC Name1-(chloromethyl)-2-methylbenzene
Molecular FormulaC8H9Cl
Molecular Weight140.61
XLogP2.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1=CC=CC=C1CCl
InChI
InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey
VQRBXYBBGHOGFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Chloro-o-xylene
CAS: 552-45-4
CID: 11093
Formula: C8H9Cl
MW: 140.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.61
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass140.0392780
Monoisotopic Mass140.0392780
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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