Basic information
- CAS
37009-52-2- Standard SMILES
CCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1- InChIKey
BPDDFRMYIQRZHQ-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- Ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
- IUPAC
- ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate
- English name
- Ethyl 2,4-diphenylimidazole-5-carboxylate
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
37009-52-2Ethyl 2,4-diphenyl-1H-imidazole-5-carboxylateDTXSID70340001RefChem:342243DTXCID50291082ETHYL 2,4-DIPHENYLIMIDAZOLE-5-CARBOXYLATEethyl 2,5-diphenyl-3H-imidazole-4-carboxylateSCHEMBL62580832,5-diphenyl-3H-imidazole-4-carboxylic acid ethyl esterSCHEMBL28582964AKOS015965018Ethyl 2,4-diphenyl-1H-imidazole-5-carboxylate #
Show more names
ethyl2,5-diphenyl-3H-imidazole-4-carboxylate1H-Imidazole-5-carboxylic acid, 2,4-diphenyl-, ethyl ester
2,5-Diphenyl-3H-imidazol-4-carboxylic acid, ethyl ester
Database identifiers
- CAS
37009-52-2- PubChem CID
- 560705
- DTXSID
DTXSID70340001- Nikkaji
- J861.677I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 535.6 · 535.6±38.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 10.18 · 10.18±0.10(Predicted)
- InChI
- 1S/C19H17NO3S/c1-3-23-19(21)17-16(13-7-5-4-6-8-13)20-18(24-17)14-9-11-15(22-2)12-10-14/h4-12H,3H2,1-2H3
- InChIKey
- MABWMQHCQJISJW-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C(S1)=C(C2=CC=CC=C2)N=C1C3=CC=C(OC)C=C3
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 273 · P273-P280-P302+P352-P305+P351+P338-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P273-P280-P302+P352-P305+P351+P338-P391
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…