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Benzoylchloride, 2-phenoxy-

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Name

Benzoylchloride, 2-phenoxy-

EINECS N/A
CAS No. 40501-36-8 Density 1.248 g/cm3
PSA 39.19000 LogP 3.25290
Solubility N/A Melting Point 37 ºC
Formula C13H9ClO2 Boiling Point 319.149 °C at 760 mmHg
Molecular Weight 232.666 Flash Point 118.552 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 40501-36-8 (2-PHENOXYBENZOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2-Phenoxybenzoylchloride;o-Phenoxybenzoyl chloride;

Article Data 3

Benzoylchloride, 2-phenoxy- 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

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