Ethyl 1H-imidazole-1-carboxylate

HCID 87963

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Basic information

CAS: 19213-72-0
Standard SMILES: CCOC(=O)n1ccnc1
InChIKey: YICRPEGTQDSFEX-UHFFFAOYSA-N
Molecular formula: C6H8N2O2
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.0585775

Names & identifiers

Preferred name: Ethyl 1H-imidazole-1-carboxylate
IUPAC: ethyl imidazole-1-carboxylate
English name: 1-Carbethoxyimidazole
Molecular formula: C6H8N2O2
Molecular weight: 140.14

Names & synonyms

Ethyl 1H-imidazole-1-carboxylate19213-72-01-Carbethoxyimidazoleethyl imidazole-1-carboxylate1H-Imidazole-1-carboxylic acid, ethyl ester8C6L5963XVEINECS 242-883-7N-(ETHOXYFORMYL)IMIDAZOLEDTXSID90172780NSC 82335NSC-823351-(ethoxycarbonyl)imidazole

Show more names

EtImCEtomidate Impurity 10Ethyl imidazolecarbamateEthyl 1-imidazolecarboxylate

IMIDAZOLE-1-CARBOXYLIC ACID, ETHYL ESTERRefChem:593384DTXCID8095271242-883-7InChI=1/C6H8N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-5H,2H2,1HN-CarboethoxyimidazoleMFCD000144981H-Imidazole-1-carboxylicacid, ethyl ester

Database identifiers

CAS: 19213-72-0
PubChem CID: 87963
DTXSID: DTXSID90172780
UNII: 8C6L5963XV
EC Number: 242-883-7
Nikkaji: J224.884K

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 100 °C · 100 °C(Press: 16 Torr)
Density: 1.162 g/mL · 1.162 g/mL at 25 °C
refractive index: 20 · n20/D1.472
Flash point: 104 ℃ · 104℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
pka: 3.73 · 3.73±0.10(Predicted)
form: Oil
color: Clear Colourless to Pale Yellow
Stability: Volatile
InChI: 1S/C6H8N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3
InChIKey: YICRPEGTQDSFEX-UHFFFAOYSA-N
SMILES: CCOC(=O)n1ccnc1
FDA UNII: 8 C6L5963XV · 8C6L5963XV
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
WGK Germany: 3 · 3
HS Code: 2933299090 · 2933299090
Storage Class: 10 · 10 - Combustible liquids