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40501-36-8

Basic Information
CAS No.: 40501-36-8
Name: 2-PHENOXYBENZOYL CHLORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 40501-36-8 (2-PHENOXYBENZOYL CHLORIDE)
Formula: C13H9ClO2
Molecular Weight: 232.666
Synonyms: 2-Phenoxybenzoylchloride;o-Phenoxybenzoyl chloride;
Density: 1.248 g/cm3
Melting Point: 37 ºC
Boiling Point: 319.149 °C at 760 mmHg
Flash Point: 118.552 °C
Hazard Symbols: CorrosiveC
PSA: 39.19000
LogP: 3.25290
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Specification

The Benzoylchloride, 2-phenoxy-, with the CAS registry number 40501-36-8, is also known as o-Phenoxybenzoyl chloride. This chemical's molecular formula is C13H9ClO2 and molecular weight is 232.66. What's more, its systematic name is 2-phenoxybenzoyl chloride.

Physical properties of Benzoylchloride, 2-phenoxy- are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/BCF (pH 5.5): 664; (5)ACD/KOC (pH 5.5): 3646; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 62.941 cm3; (12)Molar Volume: 186.429 cm3; (13)Polarizability: 24.952×10-24cm3; (14)Surface Tension: 44.771 dyne/cm; (15)Density: 1.248 g/cm3; (16)Flash Point: 118.552 °C; (17)Enthalpy of Vaporization: 56.071 kJ/mol; (18)Boiling Point: 319.149 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c2ccccc2Oc1ccccc1
(2)InChI: InChI=1S/C13H9ClO2/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
(3)InChIKey: BMGKQFRMINVVPP-UHFFFAOYSA-N