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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 | Hazard Symbols | C | |
Synonyms |
2-Phenoxybenzoylchloride;o-Phenoxybenzoyl chloride; |
Article Data | 3 |
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