Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=C(N(CCCl)CCCl)C(=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=XKUWFOYPQIVFMM-UHFFFAOYSA-N

Formula

C11H13Cl2N3O4

Mass

322.14

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Nitrotoluenes

Direct Parent

Dinitrotoluenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dinitrotoluene - Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.

External Descriptors

Not available

Previous Back Next