4-(Methoxycarbonyl)-1-methylpyridin-1-ium iodide
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Basic information
- CAS
7630-02-6- Standard SMILES
COC(=O)c1cc[n+](C)cc1.[I-]- InChIKey
PCDBIGSCEQLGED-UHFFFAOYSA-M- Molecular formula
- C8H10INO2
- Average molar mass
- 279.07 g/mol
- Monoisotopic mass
- 278.97562656
Names & identifiers
- Preferred name
- 4-(Methoxycarbonyl)-1-methylpyridin-1-ium iodide
- IUPAC
- methyl 1-methylpyridin-1-ium-4-carboxylate iodide
- English name
- Pyridinium, 4-(methoxycarbonyl)-1-methyl-, iodide (1:1)
- Molecular formula
- C8H10INO2
- Molecular weight
- 279.08
Names & synonyms
4-(Methoxycarbonyl)-1-methylpyridin-1-ium iodide7630-02-6DTXSID20513586RefChem:289138DTXCID304643934-(methoxycarbonyl)-1-methylpyridinium iodidemethyl 1-methylpyridin-1-ium-4-carboxylate;iodideMFCD00031917SCHEMBL3568331PCDBIGSCEQLGED-UHFFFAOYSA-MSTL115050AKOS003628052
Show more names
Pyridinium, 4-(methoxycarbonyl)-1-methyl-, iodide (1:1)
GG-00561-methyl-4-carbomethoxypyridinium iodiden-methyl-4-methoxycarbonylpyridinium iodide4-methoxycarbonyl-1-methylpyridinium iodideCS-0237320D86930EN300-1822044-(Methoxycarbonyl)-1-methylpyridin-1-iumiodide
Database identifiers
- CAS
7630-02-6- PubChem CID
- 12945487
- DTXSID
DTXSID20513586
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 183.5 · 183.5-186 °C (decomp)(Solv: ethanol (64-17-5))
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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