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906352-68-9

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Basic Information
CAS No.: 906352-68-9
Name: 2-(TETRAHYDROPYRAN-4-YLOXY)BENZOYL CHLORIDE
Molecular Structure:
Molecular Structure of 906352-68-9 (2-(TETRAHYDROPYRAN-4-YLOXY)BENZOYL CHLORIDE)
Formula: C12H13ClO3
Molecular Weight: 240.68282
Synonyms: 2-(TETRAHYDROPYRAN-4-YLOXY)BENZOYL CHLORIDE;2-(Tetrahydro-2H-pyran-4-yloxy)benzoyl chloride;2-(Tetrahydro-2H-pyran-4-yloxy)benzoyl chloride 97%;2-[(Oxan-4-yl)oxy]benzoyl chloride, 4-{[2-(Chlorocarbonyl)phenyl]oxy}tetrahydro-2H-pyran
Density: 1.244g/cm3
Boiling Point: 367.7 °C at 760 mmHg
Flash Point: 154.7 °C
Hazard Symbols: CorrosiveC
PSA: 35.53000
LogP: 2.62340
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Specification

The Benzoyl chloride,2-[(tetrahydro-2H-pyran-4-yl)oxy]-, with CAS registry number 906352-68-9, has the systematic name of 2-tetrahydropyran-4-yloxybenzoyl chloride. Besides this, it is also called 2-(Tetrahydro-2H-pyran-4-yloxy)benzoyl chloride. And the chemical formula of this chemical is C12H13ClO3.

Physical properties of Benzoyl chloride,2-[(tetrahydro-2H-pyran-4-yl)oxy]-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 35.53 Å2; (9)Index of Refraction: 1.545; (10)Molar Refractivity: 61.2 cm3; (11)Molar Volume: 193.3 cm3; (12)Polarizability: 24.26×10-24cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.244 g/cm3; (15)Flash Point: 154.7 °C; (16)Enthalpy of Vaporization: 61.42 kJ/mol; (17)Boiling Point: 367.7 °C at 760 mmHg; (18)Vapour Pressure: 1.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)C(=O)Cl)OC2CCOCC2
(2)InChI: InChI=1/C12H13ClO3/c13-12(14)10-3-1-2-4-11(10)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
(3)InChIKey: FYJPOEFQSOXMMO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H13ClO3/c13-12(14)10-3-1-2-4-11(10)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
(5)Std. InChIKey: FYJPOEFQSOXMMO-UHFFFAOYSA-N