| Identification | |
| Name: | Benzoic acid,4-(2-pyridinyl)- |
| Synonyms: | Benzoicacid, p-2-pyridyl- (7CI,8CI);4-(2-Pyridyl)benzoic acid;4-(Pyridin-2-yl)benzoic acid;4-pyridin-2-ylbenzoic acid; |
| CAS: | 4385-62-0 |
| Molecular Formula: | C12H9NO2 |
| Molecular Weight: | 199.20 |
| InChI: | InChI=1/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)/p-1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.241g/cm3 |
| Specification: |
The 4-(2-Pyridyl)benzoic acid, with the cas registry number 4385-62-0 and EINECS registry number 229-859-1, is also called 4-(Pyridin-2-yl)benzoic acid. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C12H9NO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.427; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.455; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 50.19 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.866 cm3; (14)Molar Volume: 160.471 cm3; (15)Polarizability: 22.147×10-24cm3; (16)Surface Tension: 54.95 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 188.539 °C; (19)Enthalpy of Vaporization: 67.218 kJ/mol; (20)Boiling Point: 388.137 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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