Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)
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Basic information
- CAS
1199-65-1- Standard SMILES
CC[n+]1ccc(C(=O)OC)cc1.[I-]- InChIKey
NGEAJXXGUZQCPN-UHFFFAOYSA-M- Molecular formula
- C9H12INO2
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 292.99128
Names & identifiers
- Preferred name
- Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)
- IUPAC
- methyl 1-ethylpyridin-1-ium-4-carboxylate iodide
- English name
- 1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE
- Molecular formula
- C9H12INO2
- Molecular weight
- 293.1
Names & synonyms
1199-65-1Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)1-Ethyl-4-carbomethoxypyridinium iodideNSC 41724N-Ethyl-4-carbomethoxypyridinium iodideNSC 53229Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodideDTXSID30883666Pyridinium, 4-carboxy-1-ethyl-, iodide, methyl esterRefChem:177650DTXCID7010231731-Ethyl-4-(methoxycarbonyl)pyridinium iodide
Show more names
1-ethyl-4-(methoxycarbonyl)pyridinium1-ethyl-4-(methoxycarbonyl)-pyridiniuiodide1-Ethyl-4-(methoxycarbonyl)pyridiniumIodide>1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE 99+%1-Ethyl-4-(methoxycarbonyl)pyridinium iodide 97%methyl 1-ethylpyridin-1-ium-4-carboxylate iodide1-Ethylpyridinium-4-carboxylic acid methyl·iodide
1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE1-ethyl-4-(methoxycarbonyl)pyridin-1-ium iodideMFCD00011996methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide4-Carbomethoxy-1-ethylpyridinium IodideSCHEMBL4873050NGEAJXXGUZQCPN-UHFFFAOYSA-MNSC41724
Database identifiers
- CAS
1199-65-1- PubChem CID
- 70984
- DTXSID
DTXSID30883666- EC Number
- 624-777-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 114 · 114-116 °C (lit.)
- form
- powder to crystal
- color
- Light yellow to Brown
- Stability
- Stable. Incompatible with strong oxidizing agents. Hygroscopic.
- InChI
- 1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
- InChIKey
- NGEAJXXGUZQCPN-UHFFFAOYSA-M
- SMILES
- [I-].CC[n+]1ccc(cc1)C(=O)OC
- CAS DataBase Reference
- 1199 · 1199-65-1(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1199-65-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.39.9200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1): INACTIVE
Applications
Uses1-Ethyl-4-(methoxycarbonyl)pyridinium iodide was employed as probe for micropolarity determinations. It was also used in preparation of 1-ethyl-4-(methoxycarbonyl)pyridinium tetrakis(4-phenoxyphenyl)borate.
General DescriptionIon association/dissociation behavior of 1-ethyl-4-(methoxycarbonyl)pyridinium iodide in a number of ionic and molecular liquids by mathematical and computational modelling was reported.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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