1,3,5-Trimethyl-2,4,6-trinitrobenzene

CAS Registry Number®

602-96-0

CAS Name

1,3,5-Trimethyl-2,4,6-trinitrobenzene

Molecular Formula

C9H9N3O6

Molecular Mass

255.18

Cite this Page

1,3,5-Trimethyl-2,4,6-trinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=602-96-0 (retrieved 2024-11-22) (CAS RN: 602-96-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-232 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3

InChIKey

InChIKey=YVJCXMCIFPUNDO-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C)C(N(=O)=O)=C(C)C(N(=O)=O)=C1C

Canonical SMILES

O=N(=O)C=1C(=C(C(=C(C1C)N(=O)=O)C)N(=O)=O)C

Other Names for this Substance

  • Benzene, 1,3,5-trimethyl-2,4,6-trinitro-
  • Mesitylene, 2,4,6-trinitro-
  • 1,3,5-Trimethyl-2,4,6-trinitrobenzene
  • Trinitromesitylene
  • 2,4,6-Trinitromesitylene

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration