Benzene, 1,3,5-trinitro-2,4,6-tripropoxy-
Basic information
- CAS
68959-40-0- Standard SMILES
CCCOc1c([N+](=O)[O-])c(OCCC)c([N+](=O)[O-])c(OCCC)c1[N+](=O)[O-]- InChIKey
AJBWVJLJSBSNPC-UHFFFAOYSA-N- Molecular formula
- C15H21N3O9
- Average molar mass
- 387.34 g/mol
- Monoisotopic mass
- 387.12777926
Names & identifiers
- Preferred name
- Benzene, 1,3,5-trinitro-2,4,6-tripropoxy-
- IUPAC
- 1,3,5-trinitro-2,4,6-tripropoxybenzene
- English name
- 1,3,5-Trinitro-2,4,6-tripropoxybenzene
- Molecular formula
- C15H21N3O9
- Molecular weight
- 387.35
Names & synonyms
Benzene, 1,3,5-trinitro-2,4,6-tripropoxy-RefChem:5622631,3,5-Tripropoxy-2,4,6-trinitrobenzene68959-40-01,3,5-trinitro-2,4,6-tripropoxybenzeneSCHEMBL1502289DTXSID3071933AJBWVJLJSBSNPC-UHFFFAOYSA-N
Database identifiers
- CAS
68959-40-0- PubChem CID
- 111963
- DTXSID
DTXSID3071933- Nikkaji
- J441.273G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,5-Tripropoxy-2,4,6-trinitrobenzene (68959-40-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3,5-trinitro-2,4,6-tripropoxy-: INACTIVE
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Related reactions
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Compound notes
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