Basic information
- CAS
32185-64-1- Standard SMILES
COc1cc([N+](=O)[O-])c(OC)cc1C- InChIKey
UCCSDFOEIGJWAF-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 1,4-Dimethoxy-2-methyl-5-nitrobenzene
- IUPAC
- 1,4-dimethoxy-2-methyl-5-nitrobenzene
- English name
- 1,4-DIMETHOXY-2-METHYL-5-NITROBENZENE
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
1,4-dimethoxy-2-methyl-5-nitrobenzene32185-64-1DTXSID10380769RefChem:220608DTXCID90331794MFCD00830719SCHEMBL2955974UCCSDFOEIGJWAF-UHFFFAOYSA-N1,4-dimethoxy-2-methyl-5-nitro-benzeneDB-0175481-Methyl-2,5-bis(methyloxy)-4-nitrobenzeneF97822
Show more names
Benzene, 1,4-dimethoxy-2-methyl-5-nitro-
Database identifiers
- CAS
32185-64-1- PubChem CID
- 2778095
- DTXSID
DTXSID10380769- Nikkaji
- J1.300.688A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 117 · 117-118 °C(Solv: ethanol (64-17-5))
- Boiling point
- 334 · 334.0±37.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
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