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CAS No.: | 217192-22-8 |
---|---|
Name: | (4-PYRID-4-YLPHENYL)METHANOL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H11NO |
Molecular Weight: | 185.225 |
Synonyms: | 4-[4-(Hydroxymethyl)phenyl]pyridine 97%; |
Density: | 1.145 g/cm3 |
Melting Point: | 173 °C |
Boiling Point: | 350.2 °C at 760 mmHg |
Flash Point: | 165.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 33.12000 |
LogP: | 2.24090 |
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The Benzenemethanol,4-(4-pyridinyl)-, with the CAS registry number of 217192-22-8, is also known as 4-[4-(Hydroxymethyl)phenyl]pyridine 97%. This chemical's molecular formula is C12H11NO and molecular weight is 185.22. What's more, its systematic name is (4-Pyridin-4-ylphenyl)methanol.
Physical properties about the Benzenemethanol,4-(4-pyridinyl)- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 3.23; (6)ACD/BCF (pH 7.4): 6.8; (7)ACD/KOC (pH 5.5): 64.94; (8)ACD/KOC (pH 7.4): 136.72; (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: 1.6; (14)Molar Refractivity: 55.38 cm3; (15)Molar Volume: 161.7 cm3; (16)Surface Tension: 49.1 dyne/cm; (17)Density: 1.145 g/cm3; (18)Flash Point: 165.6 °C; (19)Enthalpy of Vaporization: 62.76 kJ/mol; (20)Boiling Point: 350.2 °C at 760 mmHg; (21)Vapour Pressure: 1.67E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc2ccc(c1ccncc1)cc2
(2) InChI: InChI=1/C12H11NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-8,14H,9H2
(3) InChIKey: JTQRRRUVWBLIFL-UHFFFAOYAX