1-Sec-butyl-2-chloro-3,5-dinitrobenzene
Basic information
- CAS
19921-90-5- Standard SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl- InChIKey
MNAALDAFPOJOIU-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O4
- Average molar mass
- 258.66 g/mol
- Monoisotopic mass
- 258.0407345
Names & identifiers
- Preferred name
- 1-Sec-butyl-2-chloro-3,5-dinitrobenzene
- IUPAC
- 1-butan-2-yl-2-chloro-3,5-dinitrobenzene
- English name
- 1-sec-Butyl-2-chloro-3,5-dinitrobenzene
- Molecular formula
- C10H11ClN2O4
- Molecular weight
- 258.66
Names & synonyms
1-sec-butyl-2-chloro-3,5-dinitrobenzeneDTXSID301245808AKOS02433319919921-90-51-(Butan-2-yl)-2-chloro-3,5-dinitrobenzene2-Chloro-1-(1-methylpropyl)-3,5-dinitrobenzeneBenzene, 2-chloro-1-(1-methylpropyl)-3,5-dinitro-
Database identifiers
- CAS
19921-90-5- PubChem CID
- 4136126
- DTXSID
DTXSID301245808
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 320.026 · 320.026±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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