2,4,6-Trinitrobenzoyl chloride

CAS Registry Number®

7500-86-9

CAS Name

2,4,6-Trinitrobenzoyl chloride

Molecular Formula

C7H2ClN3O7

Molecular Mass

275.56

Cite this Page

2,4,6-Trinitrobenzoyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7500-86-9 (retrieved 2024-11-25) (CAS RN: 7500-86-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H2ClN3O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H

InChIKey

InChIKey=MWGGWCCALVNFPN-UHFFFAOYSA-N

SMILES

C(Cl)(=O)C1=C(N(=O)=O)C=C(N(=O)=O)C=C1N(=O)=O

Canonical SMILES

O=C(Cl)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoyl chloride, 2,4,6-trinitro-
  • 2,4,6-Trinitrobenzoyl chloride
  • Trinitrobenzoyl chloride
  • NSC 408026

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