Benzene, 2-ethoxy-1,3,5-trinitro-
Basic information
- CAS
4732-14-3- Standard SMILES
CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
AOZXETLGPZAZNK-UHFFFAOYSA-N- Molecular formula
- C8H7N3O7
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 257.02839957
Overview
See also: Trinitrophenetole (annotation moved to).
Names & identifiers
- Preferred name
- Benzene, 2-ethoxy-1,3,5-trinitro-
- IUPAC
- 2-ethoxy-1,3,5-trinitrobenzene
- English name
- Trinitrophenetole
- Molecular formula
- C8H7N3O7
- Molecular weight
- 257.16
Names & synonyms
Benzene, 2-ethoxy-1,3,5-trinitro-Trinitrophenetole4732-14-32,4,6-TrinitrophenetoleNSC 106298Picryl ethyl ether2-ethoxy-1,3,5-trinitrobenzeneNSC1062982,6-TrinitrophenetolePhenetole,4,6-trinitro-SCHEMBL304765DTXSID5075440
Show more names
Ethyl picrate2,4,6-Trinitro-1-ethoxybenzene1-Ethoxy-2,4,6-trinitrobenzene1,3,5-Trinitro-2-ethoxybenzene
2-Ethoxy-1,3,5-trinitro-benzeneAKOS034472075NSC-106298Z57056409
Database identifiers
- CAS
4732-14-3- PubChem CID
- 267173
- DTXSID
DTXSID5075440- Nikkaji
- J11.070A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 78.5 °C · 78.5 °C
- Boiling point
- 400.4 °C · 400.4°C (rough estimate)
- Density
- 1.641 · 1.6410 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- EPA Substance Registry System
- 2 · Benzene, 2-ethoxy-1,3,5-trinitro- (4732-14-3)
- RIDADR
- 218 · UN 0218
- HazardClass
- 1.1 D · 1.1D
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
- ridadr
- UN 0218
- hazard_class
- 1.1D
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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