Compound Identification
SMILES
ClC(Cl)=O.CC1=C(N)C=CC=C1N.CC1=C(C=CC=C1N=C=O)N=C=O
InChIKey
InChIKey=AYMNAOLWTKIFLG-UHFFFAOYSA-N
Formula
C17H16Cl2N4O3
Mass
395.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Toluene diisocyanates
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluene diisocyanates
Alternative Parents
Diaminotoluenes Aniline and substituted anilines Organic carbonic acids and derivatives Isocyanates Propargyl-type 1,3-dipolar organic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Toluene diisocyanate - Diaminotoluene - Aniline or substituted anilines - Aminotoluene - Isocyanate - Carbonic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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