Basic information
- CAS
6945-76-2- Standard SMILES
COc1ccc(OC)c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
XOFHMPZPXFUVBV-UHFFFAOYSA-N- Molecular formula
- C8H8N2O6
- Average molar mass
- 228.16 g/mol
- Monoisotopic mass
- 228.03823598
Names & identifiers
- Preferred name
- 1,4-Dimethoxy-2,3-dinitrobenzene
- IUPAC
- 1,4-dimethoxy-2,3-dinitrobenzene
- English name
- MFCD00085906
- Molecular formula
- C8H8N2O6
- Molecular weight
- 228.16
Names & synonyms
1,4-dimethoxy-2,3-dinitrobenzene6945-76-2XOFHMPZPXFUVBV-UHFFFAOYSA-DTXSID90287803RefChem:220604DTXCID30238950InChI=1/C8H8N2O6/c1-15-5-3-4-6(16-2)8(10(13)14)7(5)9(11)12/h3-4H,1-2H31,4-dimethoxy-2,3-dinitro-benzeneMFCD00085906Benzene, 1,4-dimethoxy-2,3-dinitro-NSC525712,3-dinitrohydroquinone dimethyl ether
Show more names
SCHEMBL1179747SCHEMBL29396391XOFHMPZPXFUVBV-UHFFFAOYSA-N1,2-dinitro-3,6-dimethoxybenzeneALBB-022775NSC-52571AKOS000298464SY336054
Database identifiers
- CAS
6945-76-2- PubChem CID
- 243223
- DTXSID
DTXSID90287803- Nikkaji
- J984.041I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 410.4 · 410.4±40.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海智存生物科技有限公司 (上海图芃生物科技有限公司）13761914825 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
陕西先氟领创科技有限公司029-82283472 15091869467 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
Loading…