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| CAS No.: | 33974-27-5 |
|---|---|
| Name: | Phenyl(4-pyridyl)methanol |
| Article Data: | 48 |
| Molecular Structure: | |
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| Formula: | C12H11NO |
| Molecular Weight: | 185.225 |
| Synonyms: | (?à)-4-(a-Hydroxybenzyl)pyridine;4-(a-Hydroxybenzyl)pyridine;NSC 98955;a-(4-Pyridyl)benzyl alcohol;a-Phenyl-4-pyridinemethanol; |
| EINECS: | 251-770-1 |
| Density: | 1.155g/cm3 |
| Melting Point: | 120℃ |
| Boiling Point: | 353.5 °C at 760 mmHg |
| Flash Point: | 167.6 °C |
| Hazard Symbols: | R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 33.12000 |
| LogP: | 2.16330 |
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Specification
The Phenyl(4-pyridyl)methanol with the CAS number 33974-27-5 is also called 4-Pyridinemethanol,a-phenyl-. Both the systematic name and IUPAC name are phenyl(pyridin-4-yl)methanol. Its molecular formula is C12H11NO. The EINECS registry number is 251-770-1. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Phenyl(4-pyridyl)methanol are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 2.42; (6)ACD/BCF (pH 7.4): 5.16; (7)ACD/KOC (pH 5.5): 52.58; (8)ACD/KOC (pH 7.4): 112.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 55.19 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 21.88×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Enthalpy of Vaporization: 63.15 kJ/mol; (19)Vapour Pressure: 1.32×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)c2ccncc2
(2)InChI: InChI=1/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12,14H
(3)InChIKey: MYKGGGPMKINROD-UHFFFAOYAZ