1H-Pyrazole,1-(tetrahydro-2H-pyran-2-yl)- supplier

Name
1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole
EINECS
CAS No. 449758-17-2
Article Data24
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O
Boiling Point 269.766 °C at 760 mmHg
Molecular Weight 152.196
Flash Point 116.95 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Tetrahydropyranyl)-1H-pyrazole;2-Pyrazolyl-2H-3,4,5,6-tetrahydropyran;
PSA 27.05000
LogP 1.58220

1H-Pyrazole,1-(tetrahydro-2H-pyran-2-yl)- Specification

The 1H-Pyrazole,1-(tetrahydro-2H-pyran-2-yl)-, with the CAS registry number 449758-17-2, is also known as 1-(2-Tetrahydropyranyl)-1H-pyrazole. This chemical's molecular formula is C₈H₁₂N₂O and molecular weight is 152.19. What's more, its systematic name is 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole.

Physical properties of 1H-Pyrazole,1-(tetrahydro-2H-pyran-2-yl)- are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 42.712 cm³; (15)Molar Volume: 126.179 cm³; (16)Polarizability: 16.932×10^-24cm³; (17)Surface Tension: 44.928 dyne/cm; (18)Density: 1.206 g/cm³; (19)Flash Point: 116.95 °C; (20)Enthalpy of Vaporization: 48.745 kJ/mol; (21)Boiling Point: 269.766 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1nn(cc1)C2CCCCO2
(2)Std. InChI: InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2
(3)Std. InChIKey: IMZWSOSYNFVECD-UHFFFAOYSA-N

Product Name

1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole

1H-Pyrazole,1-(tetrahydro-2H-pyran-2-yl)- Specification

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