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Name |
3-(Hydroxymethyl)-2-pyridinecarbonitrile |
EINECS | N/A |
CAS No. | 131747-56-3 | Density | 1.25 g/cm3 |
PSA | 56.91000 | LogP | 0.44558 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6N2O | Boiling Point | 328.664 °C at 760 mmHg |
Molecular Weight | 134.137 | Flash Point | 152.571 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Pyridinecarbonitrile,3-(hydroxymethyl)- (9CI); |
Article Data | 4 |
The 3-(Hydroxymethyl)-2-pyridinecarbonitrile, with the CAS registry number 131747-56-3, is also known as 2-Pyridinecarbonitrile, 3-(hydroxymethyl)- (9CI). It belongs to the product category of Pyridine. This chemical's molecular formula is C7H6N2O and molecular weight is 134.14. What's more, its systematic name is 3-(Hydroxymethyl)pyridine-2-carbonitrile.
Physical properties about 3-(Hydroxymethyl)-2-pyridinecarbonitrile are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.91 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.279 cm3; (15)Molar Volume: 106.708 cm3; (16)Polarizability: 13.986×10-24 cm3; (17)Surface Tension: 65.758 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 152.571 °C; (20)Enthalpy of Vaporization: 60.282 kJ/mol; (21)Boiling Point: 328.664 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
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