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157650-27-6

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Basic Information
CAS No.: 157650-27-6
Name: 3-Pyridinecarbonitrile,4-(hydroxymethyl)-(9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 157650-27-6 (3-Pyridinecarbonitrile,4-(hydroxymethyl)-(9CI))
Formula: C7H6N2O
Molecular Weight: 134.137
Synonyms: 3-Pyridinecarbonitrile,4-(hydroxymethyl)-(9CI)
Density: 1.257 g/cm3
Boiling Point: 328.664 °C at 760 mmHg
Flash Point: 152.571 °C
PSA: 56.65000
LogP: 0.55498
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    3-PYRIDINECARBONITRILE,4-(HYDROXYMETHYL)-

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    3-PYRIDINECARBONITRILE,4-(HYDROXYMETHYL)-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 3-Pyridinecarbonitrile,4-(hydroxymethyl)- is an organic compound with the formula C7H6N2O. The systematic name of this chemical is 3-(hydroxymethyl)pyridine-2-carbonitrile. With the CAS registry number 157650-27-6, it is also named as 3-(Hydroxymethyl)-2-pyridinecarbonitrile. The product's category is Pyridine.

Physical properties about 3-Pyridinecarbonitrile,4-(hydroxymethyl)- are: (1)ACD/LogP: 0.40; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10; (7)ACD/KOC (pH 7.4): 10; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 56.91 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 35.279 cm3; (14)Molar Volume: 106.708 cm3; (15)Polarizability: 13.986×10-24cm3; (16)Surface Tension: 65.758 dyne/cm; (17)Density: 1.257 g/cm3; (18)Flash Point: 152.571 °C; (19)Enthalpy of Vaporization: 60.282 kJ/mol; (20)Boiling Point: 328.664 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1CO
(2)InChI: InChI=1/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,10H,5H2
(3)InChIKey: HPSFXGJWKADMPK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,10H,5H2
(5)Std. InChIKey: HPSFXGJWKADMPK-UHFFFAOYSA-N