2-Methoxy-5-(2-nitrovinyl)phenol
Basic information
- CAS
39816-35-8- Standard SMILES
COc1ccc(/C=C/[N+](=O)[O-])cc1O- InChIKey
QGCVJPGJBCRIEV-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 2-Methoxy-5-(2-nitrovinyl)phenol
- IUPAC
- 2-methoxy-5-[(E)-2-nitroethenyl]phenol
- English name
- 1-(3-Hydroxy-4-methoxyphenyl)-2-nitroethene
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
39816-35-82-METHOXY-5-(2-NITROVINYL)PHENOL176242-82-32-methoxy-5-[(E)-2-nitroethenyl]phenol2-Methoxy-5-[(E)-2-nitrovinyl]phenol2-methoxy-5-[(1E)-2-nitroethenyl]phenol(E)-2-methoxy-5-(2-nitrovinyl)phenolMFCD00848686Phenol, 2-methoxy-5-[(1E)-2-nitroethenyl]-3-HYDROXY-4-METHOXYNITROSTYRENE5-((1E)-2-nitrovinyl)-2-methoxyphenolDopamine Impurity 2
Show more names
Dopamine impuritiy 2Dopamine Impurity 825-(2-NITROVINYL)-2-METHOXYPHENOL3-HYDROXY-4-METHOXY-BETA-NITROSTYRENE2-METHOXY-5-((E)-2-NITRO-VINYL)-PHENOL2-Methoxy-5-(2-nitrovinyl)phenol - [M71550]3-HYDROXY-4-METHOXY-BETA-NITROSTYRENE, >95%
1-(3-Hydroxy-4-methoxyphenyl)-2-nitroetheneNSC196548CHEMBL594180SCHEMBL290319465-{2-nitrovinyl}-2-methoxyphenolALBB-031220SBB091845STK763015
Database identifiers
- CAS
39816-35-8- PubChem CID
- 672279
- ChEMBL
CHEMBL594180- Nikkaji
- J302.949B、J717.916B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 384.2 · 384.2±32.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 9.28 · 9.28±0.10(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H411
- Precautionary statements
- 261 · P261-P280-P264-P271-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-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
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- Hazard statements
- H315-H318-H335-H411
- Precautionary statements
- P261-P280-P264-P271-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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