| Identification | |
| Name: | Benzoic acid,4-(2-pyrimidinyl)- |
| Synonyms: | 4-(Pyrimidin-2-yl)benzoicacid; |
| CAS: | 199678-12-1 |
| Molecular Formula: | C11H8N2O2 |
| Molecular Weight: | 200.19 |
| InChI: | InChI=1/C11H8N2O2/c14-11(15)9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,(H,14,15) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.302 g/cm3 |
| Refractive index: | 1.619 |
| Specification: |
The 4-(Pyrimidin-2-yl)benzoic acid, with the CAS registry number 199678-12-1, is also known as Benzoic acid,4-(2-pyrimidinyl)-. It belongs to the product categories of Quinazoline and Pharmacetical. This chemical's molecular formula is C11H8N2O2 and molecular weight is 200.19. What's more, its IUPAC name is 4-Pyrimidin-2-ylbenzoic acid and systematic name is called 4-(Pyrimidin-2-yl)benzoic acid. Physical properties about 4-(Pyrimidin-2-yl)benzoic acid are: (1) ACD/LogP: 2.42; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.46; (4) ACD/LogD (pH 7.4): -0.66; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 5.42; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 52.08 Å2; (13) Index of Refraction: 1.619; (14) Molar Refractivity: 53.95 cm3; (15) Molar Volume: 153.6 cm3; (16) Surface Tension: 61.8 dyne/cm; (17) Density: 1.302 g/cm3; (18) Flash Point: 136.2 °C; (19) Enthalpy of Vaporization: 57.2 kJ/mol; (20) Boiling Point: 301.5 °C at 760 mmHg; (21) Vapour Pressure: 0.000464 mmHg at 25 °C; (22) Melting Point: 238 °C. You can still convert the following datas into molecular structure: |
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