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CAS No.: | 3586-15-0 |
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Name: | 3-PHENOXYBENZOYL CHLORIDE |
Molecular Structure: | |
Formula: | C13H9ClO2 |
Molecular Weight: | 232.666 |
Synonyms: | 3-PHENOXYBENZOYL CHLORIDE;3-Phenoxybenzoyl chloride 97% |
Density: | 1.247g/cm3 |
Boiling Point: | 330 °C at 760 mmHg |
Flash Point: | 122.4 °C |
Hazard Symbols: | C |
PSA: | 26.30000 |
LogP: | 3.85790 |
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The CAS registry number of Benzoyl chloride,3-phenoxy- is 3586-15-0. This chemical's molecular formula is C13H9ClO2 and molecular weight is 232.6624. What's more, its systematic name is called 3-Phenoxybenzoyl chloride. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact.
Physical properties about Benzoyl chloride,3-phenoxy- are: (1)ACD/LogP: 4.45; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1422.02; (6)ACD/BCF (pH 7.4): 1422.02; (7)ACD/KOC (pH 5.5): 6287.07; (8)ACD/KOC (pH 7.4): 6287.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 62.94 cm3; (15)Molar Volume: 186.4 cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.247 g/cm3; (18)Flash Point: 122.4 °C; (19)Enthalpy of Vaporization: 57.26 kJ/mol; (20)Boiling Point: 330 °C at 760 mmHg; (21)Vapour Pressure: 0.000171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c2cc(Oc1ccccc1)ccc2
(2) InChI: InChI=1/C13H9ClO2/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
(3) InChIKey: TTZXIWBOKOZOPL-UHFFFAOYAJ