2-Chloro-1,4-dimethyl-3,5-dinitrobenzene
Basic information
- CAS
71491-47-9- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1Cl- InChIKey
GPBXOXQYKHJRCX-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O4
- Average molar mass
- 230.6 g/mol
- Monoisotopic mass
- 230.0094344
Names & identifiers
- Preferred name
- 2-Chloro-1,4-dimethyl-3,5-dinitrobenzene
- IUPAC
- 2-chloro-1,4-dimethyl-3,5-dinitrobenzene
- English name
- 2-chloro-1,4-dimethyl-3,5-dinitro-benzene
- Molecular formula
- C8H7ClN2O4
- Molecular weight
- 230.61
Names & synonyms
2-chloro-1,4-dimethyl-3,5-dinitrobenzene71491-47-9DTXSID30301158RefChem:258204DTXCID30252292NSC141463Benzene,2-chloro-1,4-dimethyl-3,5-dinitro-2-Chloro-3,5-dinitro-p-xyleneBenzene,4-dimethyl-3,5-dinitro-NSC-141463DS-0067802-chloro-1,4-dimethyl-3,5-dinitro-benzene
Show more names
Benzene, 2-chloro-1,4-dimethyl-3,5-dinitro-
Database identifiers
- CAS
71491-47-9- PubChem CID
- 284972
- DTXSID
DTXSID30301158
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 339.9 · 339.9±37.0 °C(Predicted)
- Density
- 1.463 · 1.463±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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