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1623-95-6

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Basic Information
CAS No.: 1623-95-6
Name: 4-PHENOXYBENZOYL CHLORIDE
Article Data: 65
Molecular Structure:
Molecular Structure of 1623-95-6 (4-PHENOXYBENZOYL CHLORIDE)
Formula: C13H9ClO2
Molecular Weight: 232.666
Synonyms: Benzoylchloride, p-phenoxy- (7CI,8CI);4-Phenoxybenzoyl chloride;p-Phenoxybenzoylchloride;
EINECS: 216-610-7
Density: 1.247g/cm3
Boiling Point: 331.4 °C at 760 mmHg
Flash Point: 122.9 °C
Hazard Symbols: CorrosiveC
PSA: 26.30000
LogP: 3.85790
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Specification

The 4-Phenoxybenzoyl chloride, with CAS registry number 1623-95-6, has the systematic name of 4-phenoxybenzoyl chloride. And its IUPAC name is the same one. Besides this, it is also called p-Phenoxybenzoyl chloride. And the chemical formula of this chemical is C13H9ClO2.What's more, its EINECS is 216-610-7.

Physical properties of 4-Phenoxybenzoyl chloride: (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): 1424.51; (6)ACD/BCF (pH 7.4): 1424.51; (7)ACD/KOC (pH 5.5): 6294.95; (8)ACD/KOC (pH 7.4): 6294.95; (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)Polarizability: 24.95×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Enthalpy of Vaporization: 57.41 kJ/mol; (19)Vapour Pressure: 0.000156 mmHg at 25°C.

Uses of 4-Phenoxybenzoyl chloride: it can be used to produce 4-phenoxy-benzoyl isocyanate. This reaction will need solvent 1,2-dichloro-benzene. The reaction time is 2 hour(s). The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: AOOZVQGGMFGGEE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H9ClO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: AOOZVQGGMFGGEE-UHFFFAOYSA-N