3,4-Dimethoxypyridine
Basic information
- CAS
109613-93-6- Standard SMILES
COc1ccncc1OC- InChIKey
OSSPPRKJEQZZQH-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- 3,4-Dimethoxypyridine
- IUPAC
- 3,4-dimethoxypyridine
- English name
- Pyridine,3,4-dimethoxy-(9CI)
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
3,4-dimethoxypyridine109613-93-6DTXSID40356199RefChem:271141DTXCID50307258Pyridine, 3,4-dimethoxy-Pyridine,3,4-dimethoxy-(9CI)MFCD04037427SCHEMBL197155SCHEMBL2538708SCHEMBL4462677AKOS015909805
Show more names
dimethoxypyridine
DS-13361SY029152DB-059928CS-0089788F19595AO-801/41077192F221451
Database identifiers
- CAS
109613-93-6- PubChem CID
- 820376
- DTXSID
DTXSID40356199- Nikkaji
- J714.491A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.6
Physicochemical properties
- Melting point
- 172 · 172-174.5 °C
- Boiling point
- 202.567 · 202.567±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.438 · 6.438±0.10(predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-Dimethoxypyridine is used in the total synthesis of endothelin-converting enzyme antagonist.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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