2-Ethyl-1,3,5-trinitrobenzene

CAS Registry Number®

13985-60-9

CAS Name

2-Ethyl-1,3,5-trinitrobenzene

Molecular Formula

C8H7N3O6

Molecular Mass

241.16

Cite this Page

2-Ethyl-1,3,5-trinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13985-60-9 (retrieved 2024-11-25) (CAS RN: 13985-60-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    38.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7N3O6/c1-2-6-7(10(14)15)3-5(9(12)13)4-8(6)11(16)17/h3-4H,2H2,1H3

InChIKey

InChIKey=VDKWJWFQFPWXFC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=C(C(=C(C1)N(=O)=O)CC)N(=O)=O

Other Names for this Substance

  • Benzene, 2-ethyl-1,3,5-trinitro-
  • 2-Ethyl-1,3,5-trinitrobenzene
  • 2,4,6-Trinitroethylbenzene
  • 1-Ethyl-2,4,6-trinitrobenzene

Deleted or Replaced CAS Registry Numbers

144443-23-2

CAS INSIGHTSTM
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