4,4,4-Trinitrobutanoic acid

CAS Registry Number®

5029-46-9

CAS Name

4,4,4-Trinitrobutanoic acid

Molecular Formula

C4H5N3O8

Molecular Mass

223.10

Cite this Page

4,4,4-Trinitrobutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5029-46-9 (retrieved 2024-12-23) (CAS RN: 5029-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    57-60 °C

  • Density (2)

    1.67 g/cm³ @ Temp: Room temp

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)

InChIKey

InChIKey=ALYGFHXDFBTXMD-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)(N(=O)=O)(N(=O)=O)N(=O)=O

Canonical SMILES

O=C(O)CCC(N(=O)=O)(N(=O)=O)N(=O)=O

Other Names for this Substance

  • Butanoic acid, 4,4,4-trinitro-
  • Butyric acid, 4,4,4-trinitro-
  • 4,4,4-Trinitrobutanoic acid
  • 4,4,4-Trinitrobutyric acid
  • γ,γ,γ-Trinitrobutyric acid

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