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CAS No.: | 40501-36-8 |
---|---|
Name: | 2-PHENOXYBENZOYL CHLORIDE |
Article Data: | 3 |
Molecular Structure: | |
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: | C |
PSA: | 39.19000 |
LogP: | 3.25290 |
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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