Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(Cl)=C1N=C=O)N=C=O

InChIKey

InChIKey=XJBSZQGDAPVURO-UHFFFAOYSA-N

Formula

C9H5ClN2O2

Mass

208.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluene diisocyanates

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Toluene diisocyanate - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as toluene diisocyanates. These are organic compounds containing a benzene ring, which is substituted by a methyl group and two isocyanate groups.

External Descriptors

Not available

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