Vitas-M small molecule compound

4-methyl-3,5-dinitrobenzonitrile

Catalog ID
STK365890
SMILES N#Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C8H5N3O4 MW 207.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5N3O4/c1-5-7(10(12)13)2-6(4-9)3-8(5)11(14)15/h2-3H,1H3
InChIKey
XLZYQRLDGGJMDI-UHFFFAOYSA-N
Synonyms

4CYANO26DINITROTOLUENE
4METHYL35DINITROBENZENECARBONITRILE
4methyl35dinitrobenzonitrile
CC1=C(C=C(C=C1(N+)(=O)(O))C#N)(N+)(=O)(O)
InChI=1SC8H5N3O4c157(10(12)13)26(49)38(5)11(14)15h23H1H3
MFCD00458646
N#Cc1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
ZINC000003163580
ZINC03163580
ZINC3163580

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.