Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester supplier

Name
4-(IMIDAZOL-1-YL)-BENZOIC ACID ETHYL ESTER
EINECS
CAS No. 86718-07-2
Article Data19
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₂
Boiling Point 366 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 175.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-(Ethoxycarbonyl)phenyl)imidazole;Ethyl 4-(1H-imidazol-1-yl)benzoate;
PSA 44.12000
LogP 2.04900

Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester Specification

The Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester, with CAS registry number 86718-07-2, belongs to the following product categories: (1)Acids and Derivatives; (2)Heterocycles. It has the systematic name of ethyl 4-(1H-imidazol-1-yl)benzoate. And the chemical formula of this chemical is C₁₂H₁₂N₂O₂.

Physical properties of Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 29.99; (6)ACD/BCF (pH 7.4): 45.58; (7)ACD/KOC (pH 5.5): 351.83; (8)ACD/KOC (pH 7.4): 534.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 61.81 cm³; (15)Molar Volume: 187.1 cm³; (16)Polarizability: 24.5×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 175.2 °C; (20)Enthalpy of Vaporization: 61.24 kJ/mol; (21)Boiling Point: 366 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc(cc1)n2ccnc2
(2)InChI: InChI=1/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3
(3)InChIKey: JXZSKUXJSZZMON-UHFFFAOYAJ

Product Name

4-(IMIDAZOL-1-YL)-BENZOIC ACID ETHYL ESTER

Benzoicacid, 4-(1H-imidazol-1-yl)-, ethyl ester Specification

Related Products

Hot Products