Basic information
- CAS
2213-79-8- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl- InChIKey
RJQRHZYXGHSNKQ-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O6
- Average molar mass
- 260.59 g/mol
- Monoisotopic mass
- 259.9836136
Names & identifiers
- Preferred name
- Methyl 2-chloro-3,5-dinitrobenzoate
- IUPAC
- methyl 2-chloro-3,5-dinitrobenzoate
- English name
- Methyl 2-chloro-3,5-dinitrobenzoate
- Molecular formula
- C8H5ClN2O6
- Molecular weight
- 260.59
Names & synonyms
methyl 2-chloro-3,5-dinitrobenzoate2213-79-8DTXSID30290098RefChem:354168DTXCID50241244MFCD00085475benzoic acid, 2-chloro-3,5-dinitro-, methyl estermethyl 2-chloro-3,5-dinitro-benzoateNSC66543SCHEMBL6626231RJQRHZYXGHSNKQ-UHFFFAOYSA-NALBB-023208
Show more names
methyl2-chloro-3,5-dinitrobenzoateNSC-66543SBB071577STK365717AKOS003342266LS-07264ST018735DS-000864
Database identifiers
- CAS
2213-79-8- PubChem CID
- 248909
- DTXSID
DTXSID30290098- Nikkaji
- J379.534I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 384.9 · 384.9±37.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
南京世洲生物科技有限公司13675144456 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
Loading…