1,3-Dimethylimidazolium Iodide

HCID 20334

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Basic information

CAS: 4333-62-4
Standard SMILES: Cn1cc[n+](C)c1.[I-]
InChIKey: ARSMIBSHEYKMJT-UHFFFAOYSA-M
Molecular formula: C5H9IN2
Average molar mass: 224.04 g/mol
Monoisotopic mass: 223.98105

Names & identifiers

Preferred name: 1,3-Dimethylimidazolium Iodide
IUPAC: 1,3-dimethylimidazol-1-ium iodide
English name: 1,3-Dimethylimidazolium iodide
Molecular formula: C5H9IN2
Molecular weight: 224.04283

Names & synonyms

1,3-Dimethylimidazolium iodide4333-62-41,3-dimethyl-1H-imidazol-3-ium iodideNSC 1144681H-Imidazolium, 1,3-dimethyl-, iodideIMIDAZOLIUM, 1,3-DIMETHYL-, IODIDECHEBI:61324DTXSID40962991RefChem:727371H-Imidazolium, 1,3-dimethyl-, iodide (9CI)DTXCID601390763801-371-9

Show more names

DiMethyliMidazoliuM iodideSKL1466[C1MIm]I[MMIm] Iium Iodide1,3-dimethylimidazole iodide1,3-Dimethylimidazolium Iodide >

1,3-dimethylimidazol-1-ium iodide1-Methylimidazole methiodide1,3-dimethylimidazol-1-ium;iodide1,3-Dimethyl-3-imidazolium IodideMFCD00159685C5H9IN21,3-dimethyl imidazolium iodide1,3-dimethyl-1H-imidazol-3-iumiodide

Database identifiers

CAS: 4333-62-4
PubChem CID: 20334
DTXSID: DTXSID40962991
ChEMBL: CHEMBL1214173
ChEBI: CHEBI:61324
EC Number: 801-371-9

Properties

Computed structural properties

Topological polar surface area: 8.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 55

Physicochemical properties

Melting point: 84 to · 84.0 to 89.0 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline solid
color: Lemon/yellow
λmax: 226 nm · 226nm(lit.)
InChI: InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKey: ARSMIBSHEYKMJT-UHFFFAOYSA-M
SMILES: N1(C)C=C[N+](C)=C1.[I-]
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 305 · P305+P351+P338
RTECS: 5038500 · NJ5038500
HS Code: 29332900 · 29332900

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 2 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.