4-Cyanotetrahydropyran supplier

Name
4-Cyanotetrahydro-4H-pyran
EINECS
CAS No. 4295-99-2
Article Data2
CAS DataBase
Density 1.012 g/cm³
Solubility
Melting Point
Formula C₆H₉NO
Boiling Point 224.027 °C at 760 mmHg
Molecular Weight 111.144
Flash Point 92.165 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tetrahydro-2H-pyran-4-carbonitrile;Tetrahydropyran-4-carbonitrile;
PSA 33.02000
LogP 0.93658

4-Cyanotetrahydropyran Specification

The 4-Cyanotetrahydropyran, with the CAS registry number 4295-99-2, is also known as Tetrahydro-2H-pyran-4-carbonitrile. This chemical's molecular formula is C₆H₉NO and molecular weight is 111.14. What's more, its IUPAC name is called Oxane-4-carbonitrile.

Physical properties about 4-Cyanotetrahydropyran are: (1)ACD/LogP: -2.024; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -2.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.89; (8)ACD/KOC (pH 7.4): 1.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 29.44 cm³; (15)Molar Volume: 109.817 cm³; (16)Polarizability: 11.671×10^-24cm³; (17)Surface Tension: 35.663 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 92.165 °C; (20)Enthalpy of Vaporization: 46.052 kJ/mol; (21)Boiling Point: 224.027 °C at 760 mmHg; (22)Vapour Pressure: 0.093 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC1CCOCC1
(2) InChI: InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
(3) InChIKey: RLZJFTOYCVIYLE-UHFFFAOYSA-N

Product Name

4-Cyanotetrahydro-4H-pyran

4-Cyanotetrahydropyran Specification

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