-
Name
Ethyl 1-(2,5-dichlorophenyl)-1H-imidazole-5-carboxylate
- EINECS
- CAS No. 893615-95-7
- Density 1.38 g/cm3
- Solubility
- Melting Point
- Formula C12H10Cl2N2O2
- Boiling Point 426.1 °C at 760 mmHg
- Molecular Weight 285.13
- Flash Point 211.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Ethyl 1-(2,5-dichlorophenyl)-1H-imidazole-5-carboxylate;LogP
- PSA 44.12000
- LogP 3.35580
Ethyl 1-(2,5-dichlorophenyl)-1H-imidazole-5-carboxylate Specification
The CAS register number of Ethyl 1-(2,5-dichlorophenyl)-1H-imidazole-5-carboxylate is 893615-95-7. The systematic name about this chemical is ethyl 3-(2,5-dichlorophenyl)imidazole-4-carboxylate. The molecular formula about this chemical is C12H10Cl2N2O2 and the molecular weight is 285.13.
Physical properties about Ethyl 1-(2,5-dichlorophenyl)-1H-imidazole-5-carboxylate are: (1)ACD/LogP: 3.61; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.61; (4)ACD/BCF (pH 5.5): 324.37; (5)ACD/BCF (pH 7.4): 324.38; (6)ACD/KOC (pH 5.5): 2182.72; (7)ACD/KOC (pH 7.4): 2182.84; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 44.12Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 71.01 cm3; (13)Molar Volume: 205.8 cm3; (14)Polarizability: 28.15x10-24cm3; (15)Surface Tension: 46.3 dyne/cm; (16)Enthalpy of Vaporization: 68.09 kJ/mol; (17)Boiling Point: 426.1 °C at 760 mmHg; (18)Vapour Pressure: 1.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cncn1c2cc(ccc2Cl)Cl
(2)InChI: InChI=1/C12H10Cl2N2O2/c1-2-18-12(17)11-6-15-7-16(11)10-5-8(13)3-4-9(10)14/h3-7H,2H2,1H3
(3)InChIKey: DTSXCLBTLMFUNR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)11-6-15-7-16(11)10-5-8(13)3-4-9(10)14/h3-7H,2H2,1H3
(5)Std. InChIKey: DTSXCLBTLMFUNR-UHFFFAOYSA-N
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