Basic information
- CAS
26482-00-8- Standard SMILES
O=C(C[n+]1ccccc1)c1ccccn1.[I-]- InChIKey
BWAWQRQYQUSQEV-UHFFFAOYSA-M- Molecular formula
- C12H11IN2O
- Average molar mass
- 326.13 g/mol
- Monoisotopic mass
- 325.99161
Names & identifiers
- Preferred name
- 1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide
- IUPAC
- 2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone iodide
- English name
- PyridiniuM, 1-[2-oxo-2-(2-pyridinyl)ethyl]-, iodide
- Molecular formula
- C12H11IN2O
- Molecular weight
- 326.13301
Names & synonyms
1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide1-(2-Oxo-2-(2-pyridyl)ethyl)pyridinium IodideRefChem:422591803-627-526482-00-81-(2-Oxo-2-(pyridin-2-yl)ethyl)pyridin-1-ium iodideMFCD01690884Pyridinium,1-[2-oxo-2-(2-pyridinyl)ethyl]-, iodide (1:1)1-[2-OXO-2-(PYRIDIN-2-YL)ETHYL]PYRIDIN-1-IUM IODIDE2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone;iodidePyridacylpyridinium IodidePan-W-15
Show more names
Krhnke reagent1-(2-Pyridylcarbonylmethyl)pyridinium iodide1-[2-Oxo-2-(2-pyridinyl)ethyl]pyridinium iodide1-[2-(2-Pyridinyl)-2-oxoethyl]pyridinium iodide1-[2-Oxo-2-(2-pyridyl)ethyl]pyridiniumIodide>2-pyridin-1-ium-1-yl-1-pyridin-2-ylethanone:iodide
1-((2-Pyridylcarbonyl)methyl)pyridinium iodide1-2-(Pyridiloacetyl)-pyridinium iodide [Polish]Pyridinium, 1-((2-pyridylcarbonyl)methyl)-, iodide1-2-(Pyridiloacetyl)-pyridinium iodide1-(2-PYRIDACYL)PYRIDINIUM IODIDESCHEMBL1930231Pyridinium, 1-[2-oxo-2-(2-pyridinyl)ethyl]-, iodideSCHEMBL31327468
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- solubility
- Methanol
- form
- Solids
- color
- Light Brown
- BRN
- 3577311 · 3577311
- InChI
- 1S/C12H11N2O.HI/c15-12(11-6-2-3-7-13-11)10-14-8-4-1-5-9-14;/h1-9H,10H2;1H/q+1;/p-1
- InChIKey
- BWAWQRQYQUSQEV-UHFFFAOYSA-M
- SMILES
- [I-].O=C(C[n+]1ccccc1)c2ccccn2
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- rtecs
- UU6897000
- hs_code
- 2933.39.9200
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesPyridacylpyridinium Iodide is an intermediate in the synthesis of genetic incorporation of a metal-ion chelating amino acids into proteins as a biophysical probe.
Upstream & downstream products
Downstream products
Suppliers37 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
Related reactions
4 records
Compound notes
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