1-(2,3-Dimethoxy-6-nitrophenyl)ethanone
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Basic information
- CAS
98300-40-4- Standard SMILES
COc1ccc([N+](=O)[O-])c(C(C)=O)c1OC- InChIKey
JTYVOUDOGJPFSJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
Names & identifiers
- Preferred name
- 1-(2,3-Dimethoxy-6-nitrophenyl)ethanone
- IUPAC
- 1-(2,3-dimethoxy-6-nitrophenyl)ethanone
- English name
- 1-(2,3-Dimethoxy-6-nitrophenyl)ethanone
- Molecular formula
- C10H11NO5
- Molecular weight
- 225.2
Names & synonyms
1-(2,3-dimethoxy-6-nitrophenyl)ethanone98300-40-42',3'-dimethoxy-6'-nitroacetophenoneSCHEMBL340248MFCD25969701SY575085DB-1208251-(2,3-dimethoxy-6-nitro-phenyl)-ethanone1-(2,3-Dimethoxy-6-nitrophenyl)-1-ethanone1-(2,3-dimethoxy-6-nitrophenyl)ethan-1-oneEthanone, 1-(2,3-dimethoxy-6-nitrophenyl)-
Database identifiers
- CAS
98300-40-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 66 · 66-67 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 369.5 · 369.5±37.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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