Basic information
- CAS
606-55-3- Standard SMILES
CC[n+]1c(C)ccc2ccccc21.[I-]- InChIKey
OEVSHJVOKFWBJY-UHFFFAOYSA-M- Molecular formula
- C12H14IN
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 299.0171
Names & identifiers
- Preferred name
- 1-Ethyl-2-methylquinolinium iodide
- IUPAC
- 1-ethyl-2-methylquinolin-1-ium iodide
- English name
- 1-Ethylquinaldinium iodide
- Molecular formula
- C12H14IN
- Molecular weight
- 299.15
Names & synonyms
606-55-31-Ethyl-2-methylquinolinium iodideQuinaldine ethiodideN-Ethylquinaldinium iodide2-Methylquinoline ethiodide2-Methyl-1-ethylquinolinium iodideQuinaldinium, 1-ethyl-, iodideNSC 476EINECS 210-120-7Quinolinium, 1-ethyl-2-methyl-, iodide (1:1)DTXSID90883465RefChem:75732
Show more names
QuinaldineEthiodide>QUINALDINE ETHYL IODIDECHINALDINE ETHYL IODIDE1-ethyl-quinaldiniuiodide2-methylquinolineethiodideN-Ethylquinaldiniumiodide,97%2-METHYLQUINOLINE ETHYL IODIDE
DTXCID901022995210-120-71-ethyl-2-methylquinolin-1-ium iodide1-Ethylquinaldinium iodideQuinolinium, 1-ethyl-2-methyl-, iodideMFCD000318291-ethyl-2-methylquinolin-1-ium;iodide4TYE5J46RY
Database identifiers
- CAS
606-55-3- PubChem CID
- 69076
- DTXSID
DTXSID90883465- UNII
- 4TYE5J46RY
- EC Number
- 210-120-7
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 244 °C · 244 °C (dec.)(lit.)
- Density
- 1.4877 · 1.4877 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 250 g/l · 250g/l
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- Water Solubility
- Soluble in Water.
- InChI
- 1S/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
- InChIKey
- OEVSHJVOKFWBJY-UHFFFAOYSA-M
- SMILES
- [I-].[n+]1(c2c(ccc1C)cccc2)CC
- CAS DataBase Reference
- 606 · 606-55-3(CAS DataBase Reference)
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 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationQuinolinium, 1-ethyl-2-methyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 18 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Quinoline. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety & protection
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VA0740000
- hs_code
- 2933 49 90
- risk_code
- 36/37/38
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinolinium, 1-ethyl-2-methyl-, iodide (1:1): ACTIVE
Applications
Uses1-Ethyl-2-methylquinolinium iodide is used as a precursor in synthesis of carbocyanine dyes.
Upstream & downstream products
Upstream raw materials
Suppliers64 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…