2,6-Dimethoxypyridine
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Basic information
- CAS
122797-02-8- Standard SMILES
COc1cccc(OC)n1- InChIKey
IBTGEEMBZJBBSH-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethoxypyridine
- IUPAC
- 2,6-dimethoxypyridine
- English name
- Pyridine, 2,6-dimethoxy-, radical ion(1+) (9CI)
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15186
Names & synonyms
2,6-Dimethoxypyridine6231-18-1Pyridine, 2,6-dimethoxy-EINECS 228-334-4DTXSID00871156RefChem:83272DTXCID40818828228-334-4IBTGEEMBZJBBSH-UHFFFAOYSA-NInChI=1/C7H9NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H2,6-Dimethoxy pyridineMFCD00006266
Show more names
Pyridine, 2,6-dimethoxy-, radical ion(1+) (9CI)
2,6-Dimethoxy-pyridineSCHEMBL1606022,6-Dimethoxypyridine, 98%DS-13432F11261F1905-7031Z1255423468122797-02-8
Database identifiers
- CAS
122797-02-8- EC Number
- 228-334-4
- Nikkaji
- J110.505A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- 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
- 87.6
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.3
Ionization Efficiency
Positive
1.12
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
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 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.4%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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