CAS 111851-98-0 1-ethyl-1H-imidazole-2-carbaldehyde (HCID 11062377)

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Basic information

CAS: 111851-98-0
Standard SMILES: CCn1ccnc1C=O
InChIKey: JINZWCUGPDJTNB-UHFFFAOYSA-N
Molecular formula: C6H8N2O
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.06366288

Names & identifiers

Preferred name: 1-ethyl-1H-imidazole-2-carbaldehyde
IUPAC: 1-ethylimidazole-2-carbaldehyde
English name: 1H-Imidazole-2-carboxaldehyde,1-ethyl-(9CI)
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

1-ethyl-1H-imidazole-2-carbaldehyde111851-98-0DTXSID30453707RefChem:230205DTXCID20404526810-335-11-ethylimidazole-2-carbaldehydeMFCD073808751H-Imidazole-2-carboxaldehyde,1-ethyl-(9CI)1H-Imidazole-2-carboxaldehyde, 1-ethyl-1-ethyl-1H-imidazole-2-carboxaldehyde1-ethylimidazole-2-carboxaldehyde

Show more names

1-ethyl-2-imidazolecarboxaldehydeN-Ethyl-2-imidazolecarboxaldehyde1-Ethylimidazole-2-carboxaldehyde,95%1-ethyl-1H-imidazole-2-carbaldehyde(SALTDATA: FREE)

1-ethy1-ethyl-2-formylimidazoleN-ethyl-2-imidazolecarbaldehydeSCHEMBL1206354SCHEMBL3443013N-Ethylimidazole-2-carboxaldehydeJINZWCUGPDJTNB-UHFFFAOYSA-NALBB-015095

Database identifiers

CAS: 111851-98-0
PubChem CID: 11062377
DTXSID: DTXSID30453707
EC Number: 810-335-1
Nikkaji: J437.197F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 258 ℃ · 258℃
Density: 1.1 · 1.10
Flash point: 110 ℃ · 110℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: Solid
pka: 4.29 · 4.29±0.31(Predicted)
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass: IRRITANT
HS Code: 2933299090 · 2933299090