Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]- supplier

Name
2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate
EINECS
CAS No. 912569-54-1
Density 1.27g/cm³
Solubility
Melting Point 68.5-70.5°C
Formula C₁₁H₁₂N₂O₃
Boiling Point 342.8 °C at 760 mmHg
Molecular Weight 220.22458
Flash Point 161.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate;5-Isocyanato-2-(tetrahydropyran-4-yloxy)pyridine;2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate 97%;6-(Tetrahydro-2H-pyran-4-yloxy)pyridin-3-yl isocyanate 97%;5-Isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]pyridine 97%;6-[(Tetrahydro-2H-pyran-4-yl)oxy]pyridin-3-yl isocyanate, 4-[(5-Isocyanatopyridin-2-yl)oxy]tetrahydro-2H-pyran;Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-
PSA 60.78000
LogP 1.60670

Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]- Specification

The Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-, with CAS registry number 912569-54-1, has the systematic name of 5-isocyanato-2-tetrahydropyran-4-yloxy-pyridine. Besides this, it is also called 2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate. And the chemical formula of this chemical is C₁₁H₁₂N₂O₃.

Physical properties of Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 60.78 Å²; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 57.87 cm³; (11)Molar Volume: 172.3 cm³; (12)Polarizability: 22.94×10^-24cm³; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.27 g/cm³; (15)Flash Point: 161.1 °C; (16)Enthalpy of Vaporization: 58.66 kJ/mol; (17)Boiling Point: 342.8 °C at 760 mmHg; (18)Vapour Pressure: 7.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1N=C=O)OC2CCOCC2
(2)InChI: InChI=1/C11H12N2O3/c14-8-13-9-1-2-11(12-7-9)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6H2
(3)InChIKey: CURMCGRWRMOXFY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H12N2O3/c14-8-13-9-1-2-11(12-7-9)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6H2
(5)Std. InChIKey: CURMCGRWRMOXFY-UHFFFAOYSA-N

Product Name

2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate

Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]- Specification

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