Basic information
- CAS
90-25-5- Standard SMILES
COc1cc(Cl)c([N+](=O)[O-])c(OC)c1- InChIKey
VHLPIOGWYXZJJT-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO4
- Average molar mass
- 217.6 g/mol
- Monoisotopic mass
- 217.0141854
Names & identifiers
- Preferred name
- Benzene, 1-chloro-3,5-dimethoxy-2-nitro-
- IUPAC
- 1-chloro-3,5-dimethoxy-2-nitrobenzene
- English name
- 1-chloro-3,5-dimethoxy-2-nitrobenzene
- Molecular formula
- C8H8ClNO4
- Molecular weight
- 217.61
Names & synonyms
1-Chloro-3,5-dimethoxy-2-nitrobenzeneBenzene, 1-chloro-3,5-dimethoxy-2-nitro-EINECS 201-979-9DTXSID8059005RefChem:117316DTXCID5048687201-979-990-25-5C6EDU2ZX67SCHEMBL364793VHLPIOGWYXZJJT-UHFFFAOYSA-NAKOS015849936
Show more names
6-Chloro-2,4-dimethoxy-1-nitrobenzene1-Chloro-2-nitro-3,5-dimethoxybenzene[[(2S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
DB-078616NS00039356
Database identifiers
- CAS
90-25-5- PubChem CID
- 66655
- DTXSID
DTXSID8059005- UNII
- C6EDU2ZX67
- EC Number
- 201-979-9
- Nikkaji
- J160.885A
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 208
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 352.2 · 352.2±37.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Benzene, 1-chloro-3,5-dimethoxy-2-nitro- (90-25-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-3,5-dimethoxy-2-nitro-: INACTIVE
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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