6-Cyano-1-tetralone supplier | CasNO.90401-84-6

Name
6-CYANO-1-TETRALONE
EINECS
CAS No. 90401-84-6
Article Data8
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO
Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 171.199
Flash Point 154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Naphthonitrile,5,6,7,8-tetrahydro-5-oxo- (7CI);5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;6-Cyano-1-tetralone;
PSA 40.86000
LogP 2.07728

6-Cyano-1-tetralone Specification

The 2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-5-oxo-, with CAS registry number 90401-84-6, belongs to the following product category: Benzocycles. It has the systematic name of 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile. And the chemical formula of this chemical is C₁₁H₉NO.

Physical properties of 2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-5-oxo-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.54; (6)ACD/BCF (pH 7.4): 23.54; (7)ACD/KOC (pH 5.5): 333.81; (8)ACD/KOC (pH 7.4): 333.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 47.9 cm³; (15)Molar Volume: 143.5 cm³; (16)Polarizability: 18.99×10^-24cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 154 °C; (20)Enthalpy of Vaporization: 57.37 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc1c(C(=O)CCC1)c2
(2)InChI: InChI=1/C11H9NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2
(3)InChIKey: WXWZWMNHMVQTPS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H9NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2
(5)Std. InChIKey: WXWZWMNHMVQTPS-UHFFFAOYSA-N

Product Name

6-CYANO-1-TETRALONE

6-Cyano-1-tetralone Specification

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