2,4-Dimethylpyridine 1-oxide
Basic information
- CAS
1122-45-8- Standard SMILES
Cc1cc[n+]([O-])c(C)c1- InChIKey
KMQVCYOPBMKRKH-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 2,4-Dimethylpyridine 1-oxide
- IUPAC
- 2,4-dimethyl-1-oxidopyridin-1-ium
- English name
- 2,4-Dimethyl-pyridine 1-oxide
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
2,4-Dimethylpyridine 1-oxide978DN6CD4NPyridine, 2,4-dimethyl-, 1-oxideDTXSID00149948EINECS 214-349-3RefChem:82550UNII-978DN6CD4NDTXCID0072439214-349-31122-45-82,4-Dimethyl-pyridine 1-oxide2,4-Dimethylpyridine N-Oxide
Show more names
2,4-Lutidine N-Oxide
2,4-dimethyl-1-oxidopyridin-1-iumPyridine,2,4-dimethyl-, 1-oxide2,4-Lutidine-1-oxide2,4-DIMETHYL-PYRIDINE1-OXIDESCHEMBL501845MFCD00094914AKOS006228652E85589
Database identifiers
- CAS
1122-45-8- PubChem CID
- 70733
- DTXSID
DTXSID00149948- UNII
- 978DN6CD4N
- EC Number
- 214-349-3
- Nikkaji
- J203.355K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Boiling point
- 122 · 122-123 °C(Press: 0.01 Torr)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 1 · pK1:1.627(+1) (25°C)
- FDA UNII
- 978 DN6CD4N · 978DN6CD4N
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H302-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
20 records
Compound notes
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