4,4,4-Trinitrobutanoic acid
CAS Registry Number®
5029-46-9
CAS Name
4,4,4-Trinitrobutanoic acidMolecular Formula
C4H5N3O8Molecular Mass
223.10Cite 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 ) (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 °CDensity (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
