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Cas Database |
| Name |
Benzoic acid,4-(1H-imidazol-5-yl)- |
EINECS | N/A |
| CAS No. | 13569-97-6 | Density | 1.355 g/cm3 |
| PSA | 65.98000 | LogP | 1.77490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H8N2O2 | Boiling Point | 512.1 °C at 760 mmHg |
| Molecular Weight | 188.186 | Flash Point | 263.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, 4-(1H-imidazol-4-yl)- (9CI);Benzoic acid, p-imidazol-4-yl- (8CI);4-(3H-Imidazol-4-yl)benzoic acid;4-(4-Imidazolyl)benzoic acid; |
Article Data | 2 |
Benzoic acid,4-(1H-imidazol-5-yl)- Specification
The Benzoic acid,4-(1H-imidazol-5-yl)- is an organic compound with the formula C10H8N2O2. The systematic name of this chemical is 4-(1H-imidazol-5-yl)benzoic acid. With the CAS registry number 13569-97-6, it is also named as 4-(4-Carboxyphenyl)-1H-imidazole. The product's categories are Carboxylic Acids; Phenyls & Phenyl-Het.
Physical properties about Benzoic acid,4-(1H-imidazol-5-yl)- are: (1)ACD/LogP: 1.23; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.39; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 65.98 Å2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 50.29 cm3; (12)Molar Volume: 138.7 cm3; (13)Polarizability: 19.94×10-24cm3; (14)Surface Tension: 66.6 dyne/cm; (15)Density: 1.355 g/cm3; (16)Flash Point: 263.5 °C; (17)Enthalpy of Vaporization: 82.47 kJ/mol; (18)Boiling Point: 512.1 °C at 760 mmHg; (19)Vapour Pressure: 2.6E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc(cc1)c2cncn2
(2)InChI: InChI=1/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
(3)InChIKey: AKDWVSRIPFDSCD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
(5)Std. InChIKey: AKDWVSRIPFDSCD-UHFFFAOYSA-N
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