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O-Chloromethyltoluene

CAT: 1459-CS-T-12094Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-12094Size:1 Each
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Description
O-Chloromethyltoluene is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tolvaptan. The product is supplied by Clearsynth under CAT No. CS-T-12094. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
552-45-4
Synonyms
O-Chloromethyltoluene
Molecular Formula
C 8 H 9 Cl
Molecular Weight
140.6
Additionnal Information
O-Chloromethyltoluene is supplied with detailed characterization data compliant with regulatory guideline. o-Chloromethyltoluene can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Tolvaptan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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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