CAS No.98061-39-3,2-(4-Hydroxymethylphenyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98061-39-3
Name:	2-(4-Hydroxymethylphenyl)pyridine
Article Data:	17

Formula:	C₁₂H₁₁NO
Molecular Weight:	185.225
Synonyms:	(4-pyridin-2-ylphenyl)methanol;
Density:	1.145 g/cm³
Melting Point:	49 °C
Boiling Point:	353.8 °C at 760 mmHg
Flash Point:	167.8 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-26-36/37/39
PSA:	33.12000
LogP:	2.24090

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Specification

This chemical is called 2-(4-Hydroxymethylphenyl)pyridine, and its IUPAC name is (4-pyridin-2-ylphenyl)methanol. With the molecular formula of C₁₂H₁₁NO, its molecular weight is 185.22. In addition, the CAS registry number of this chemical is 98061-39-3, and its product categories are Pharmacetical; Heterocyclic Compounds.

Other characteristics of the 2-(4-Hydroxymethylphenyl)pyridine can be summarised as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 6.89; (6)ACD/BCF (pH 7.4): 7.39; (7)ACD/KOC (pH 5.5): 135.86; (8)ACD/KOC (pH 7.4): 145.68; (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)Polarizability: 21.95×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.145 g/cm³; (19)Flash Point: 167.8 °C; (20)Enthalpy of Vaporization: 63.19 kJ/mol; (21)Boiling Point: 353.8 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: The 2-(4-Hydroxymethylphenyl)pyridine is irritating to eyes, respiratory system and skin, you should wear suitable protective clothing, gloves and eye/face protection when you use it. This chemical is harmful, and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc2ccc(c1ncccc1)cc2
(2)InChI: InChI=1/C12H11NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8,14H,9H2
(3)InChIKey:BESAKUXOHCFPAA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H11NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8,14H,9H2
(5)Std. InChIKey:BESAKUXOHCFPAA-UHFFFAOYSA-N