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892501-94-9

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Basic Information
CAS No.: 892501-94-9
Name: 4-(4-Isocyanatophenoxy)tetrahydropyran
Molecular Structure:
Molecular Structure of 892501-94-9 (4-(4-Isocyanatophenoxy)tetrahydropyran)
Formula: C12H13NO3
Molecular Weight: 219.24
Synonyms: 4-(Tetrahydro-2H-pyran-4-yloxy)phenyl isocyanate 97%;
Density: 1.19 g/cm3
Boiling Point: 340 °C at 760 mmHg
Flash Point: 156.8 °C
Hazard Symbols: CorrosiveC
PSA: 47.89000
LogP: 2.21170
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Specification

The 2H-Pyran,tetrahydro-4-(4-isocyanatophenoxy)-, with the CAS registry number 892501-94-9, is also known as 4-(Tetrahydro-2H-pyran-4-yloxy)phenyl isocyanate 97%. This chemical's molecular formula is C12H13NO3 and molecular weight is 219.2365. Its systematic name is called 4-(4-isocyanatophenoxy)tetrahydropyran. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.

Physical properties of 2H-Pyran,tetrahydro-4-(4-isocyanatophenoxy)-: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.56; (7)Molar Refractivity: 59.43 cm3; (8)Molar Volume: 183.7 cm3; (9)Surface Tension: 43.4 dyne/cm; (10)Density: 1.19 g/cm3; (11)Flash Point: 156.8 °C; (12)Enthalpy of Vaporization: 58.35 kJ/mol; (13)Boiling Point: 340 °C at 760 mmHg; (14)Vapour Pressure: 8.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1N=C=O)OC2CCOCC2
(2)InChI: InChI=1/C12H13NO3/c14-9-13-10-1-3-11(4-2-10)16-12-5-7-15-8-6-12/h1-4,12H,5-8H2
(3)InChIKey: ZGNHUEWFJQLPDN-UHFFFAOYAM