1-(6-Ethynyl-2-pyridinyl)ethanone supplier

Name
1-(6-ETHYNYL-PYRIDIN-2-YL)-ETHANONE
EINECS
CAS No. 874379-35-8
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₇NO
Boiling Point 261.3 °C at 760 mmHg
Molecular Weight 145.161
Flash Point 118.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(6-ethynylpyridin-2-yl)ethan-1-one;2-acetyl-6-ethynylpyridine;1-(6-Ethynyl-pyridin-2-yl)-ethanone;Ethanone,1-(6-ethynyl-2-pyridinyl);
PSA 29.96000
LogP 1.26550

1-(6-Ethynyl-2-pyridinyl)ethanone Specification

The 1-(6-Ethynyl-2-pyridinyl)ethanone, with the CAS registry number 874379-35-8, is also known as Ethanone, 1-(6-ethynyl-2-pyridinyl)-. This chemical's molecular formula is C₆H₇NO and molecular weight is 145.16. What's more, its systematic name is 1-(6-Ethynyl-2-pyridinyl)ethanone.

Physical properties of 1-(6-Ethynyl-2-pyridinyl)ethanone are: (1)ACD/LogP: 1.051; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 40.98 cm³; (9)Molar Volume: 130.2 cm³; (10)Polarizability: 16.24×10^-24cm³; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.11 g/cm³; (13)Flash Point: 118.7 °C; (14)Enthalpy of Vaporization: 49.9 kJ/mol; (15)Boiling Point: 261.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc(C#C)ccc1)C
(2)Std. InChI: InChI=1S/C9H7NO/c1-3-8-5-4-6-9(10-8)7(2)11/h1,4-6H,2H3
(3)Std. InChIKey: YJKJIRRZZRDXFF-UHFFFAOYSA-N

Product Name

1-(6-ETHYNYL-PYRIDIN-2-YL)-ETHANONE

1-(6-Ethynyl-2-pyridinyl)ethanone Specification

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