2,4,4′-Trinitrodiphenylamine

CAS Registry Number®

970-76-3

CAS Name

2,4,4′-Trinitrodiphenylamine

Molecular Formula

C12H8N4O6

Molecular Mass

304.22

Cite this Page

2,4,4′-Trinitrodiphenylamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=970-76-3 (retrieved 2024-12-19) (CAS RN: 970-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-187 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H

InChIKey

InChIKey=MQZAHSOZWFOSGD-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(NC2=CC=C(N(=O)=O)C=C2)C=CC(N(=O)=O)=C1

Canonical SMILES

O=N(=O)C1=CC=C(C=C1)NC2=CC=C(C=C2N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-
  • Diphenylamine, 2,4,4′-trinitro-
  • 2,4-Dinitro-N-(4-nitrophenyl)benzenamine
  • 2,4,4′-Trinitrodiphenylamine
  • 2,4-Dinitro-N-(4-nitrophenyl)aniline

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.