2-Naphthalenepropanenitrile,b-oxo- supplier

Name
3-naphthalen-2-yl-3-oxo-propanenitrile
EINECS
CAS No. 613-57-0
Density 1.183 g/cm³
Solubility
Melting Point 127.6-128.2 °C
Formula C₁₃H₉NO
Boiling Point 405 °C at 760 mmHg
Molecular Weight 195.221
Flash Point 198.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Naphthyl)-3-oxopropanenitrile;
PSA 40.86000
LogP 2.93618

2-Naphthalenepropanenitrile,b-oxo- Specification

The 2-Naphthalenepropanenitrile,b-oxo-, with the CAS registry number of 613-57-0, is also known as 3-(2-Naphthyl)-3-oxopropanenitrile. Its molecular formula is C₁₃H₉NO and molecular weight is 195.2167. What's more, its IUPAC name is 3-Naphthalen-2-yl-3-oxopropanenitrile.

Physical properties about the 2-Naphthalenepropanenitrile,b-oxo- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.86 Å²; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 58.66 cm³; (9)Molar Volume: 164.9 cm³; (10)Surface Tension: 52.6 dyne/cm; (11)Density: 1.183 g/cm³; (12)Flash Point: 198.7 °C; (13)Enthalpy of Vaporization: 65.65 kJ/mol; (14)Boiling Point: 405 °C at 760 mmHg; (15)Vapour Pressure: 9.05E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC(=O)c2ccc1c(cccc1)c2
(2) InChI: InChI=1/C13H9NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7H2
(3) InChIKey: GTEKTBPHQPYBPS-UHFFFAOYAJ

Product Name

3-naphthalen-2-yl-3-oxo-propanenitrile

2-Naphthalenepropanenitrile,b-oxo- Specification

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