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51454-63-8

Basic Information
CAS No.: 51454-63-8
Name: 4-CYANO-PYRIDINE-2-METHANOL
Article Data: 14
Molecular Structure:
Molecular Structure of 51454-63-8 (4-CYANO-PYRIDINE-2-METHANOL)
Formula: C7H6N2O
Molecular Weight: 134.14
Synonyms: 2-(Hydroxymethyl)isonicotinonitrile;2-Hydroxymethyl-4-cyanopyridine;4-Cyano-2-(hydroxymethyl)pyridine;
Density: 1.25 g/cm3
Boiling Point: 282.4 °C at 760 mmHg
Flash Point: 124.6 °C
PSA: 56.91000
LogP: 0.44558
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Specification

The CAS register number of 4-Pyridinecarbonitrile,2-(hydroxymethyl)- is 51454-63-8. It also can be called as 2-Hydroxymethyl-4-cyanopyridine and the systematic name about this chemical is 2-(hydroxymethyl)pyridine-4-carbonitrile. The molecular formula about this chemical is C7H6N2O and the molecular weight is 134.14.

Physical properties about 4-Pyridinecarbonitrile,2-(hydroxymethyl)- are: (1) ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.98; (4)ACD/KOC (pH 7.4): 8.98; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 56.91 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 35.27 cm3; (11)Molar Volume: 106.7 cm3; (12)Polarizability: 13.98x10-24cm3; (13)Surface Tension: 65.7 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 124.6 °C; (16)Enthalpy of Vaporization: 55.06 kJ/mol; (17)Boiling Point: 282.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00159 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(C#N)ccn1
(2)InChI: InChI=1/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2
(3)InChIKey: MMVBJOBTOMJNHE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2
(5)Std. InChIKey: MMVBJOBTOMJNHE-UHFFFAOYSA-N