3-Oxo-3-(3-pyridinyl)propanenitrile supplier

Name
3-OXO-3-(3-PYRIDINYL)PROPANENITRILE
EINECS
CAS No. 30510-18-0
Article Data17
CAS DataBase
Density 1.178 g/cm³
Solubility
Melting Point 79-81°C
Formula C₈H₆N₂O
Boiling Point 344.254 °C at 760 mmHg
Molecular Weight 146.148
Flash Point 161.999 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Pyridinepropionitrile,b-oxo- (7CI,8CI);3-Oxo-3-(pyridin-3-yl)propionitrile;β-Oxo-3-pyridinepropanenitrile;
PSA 53.75000
LogP 1.17798

3-Oxo-3-(3-pyridinyl)propanenitrile Specification

The 3-Pyridinepropanenitrile,b-oxo-, with the CAS registry number 30510-18-0, is also known as 3-Oxo-3-(3-pyridinyl)propanenitrile. It belongs to the product category of Pyridines. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.15. What's more, its systematic name is 3-Oxo-3-(pyridin-3-yl)propanenitrile.

Physical properties of 3-Pyridinepropanenitrile,b-oxo- are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.75 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 38.918 cm³; (13)Molar Volume: 124.077 cm³; (14)Polarizability: 15.428×10^-24cm³; (15)Surface Tension: 52.938 dyne/cm; (16)Density: 1.178 g/cm³; (17)Flash Point: 161.999 °C; (18)Enthalpy of Vaporization: 58.82 kJ/mol; (19)Boiling Point: 344.254 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)C(=O)CC#N
(2)InChI: InChI=1S/C8H6N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6H,3H2
(3)InChIKey: MDNYQXMCDAKSIW-UHFFFAOYSA-N

Product Name

3-OXO-3-(3-PYRIDINYL)PROPANENITRILE

3-Oxo-3-(3-pyridinyl)propanenitrile Specification

Related Products

Hot Products