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| CAS No.: | 1825-23-6 |
|---|---|
| Name: | PENTACHLOROBENZOYL CHLORIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7Cl6O |
| Molecular Weight: | 312.794 |
| Synonyms: | Benzoylchloride, pentachloro- (7CI,8CI,9CI);Pentachlorobenzoyl chloride; |
| Density: | 1.781 g/cm3 |
| Melting Point: | 83-85 °C |
| Boiling Point: | 335.4 °C at 760 mmHg |
| Appearance: | white crystalline |
| PSA: | 17.07000 |
| LogP: | 5.33260 |
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Specification
This chemical is called Pentachlorobenzoyl chloride, and its CAS registry number is 1825-23-6. With the molecular formula of C7Cl6O, its molecular weight is 312.79.
Other characteristics of the Pentachlorobenzoyl chloride can be summarised as followings: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1122.03; (6)ACD/BCF (pH 7.4): 1122.03; (7)ACD/KOC (pH 5.5): 5306.32; (8)ACD/KOC (pH 7.4): 5306.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 60.97 cm3; (15)Molar Volume: 175.5 cm3; (16)Polarizability: 24.17×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.781 g/cm3; (19)Flash Point: 141.5 °C; (20)Enthalpy of Vaporization: 57.85 kJ/mol; (21)Boiling Point: 335.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25°C.
Production method of this chemical: The Pentachlorobenzoyl chloride could be obtained by the reactant of pentachloro-benzoic acid. This reaction needs the reagent of SOCl2. The yield is 61 %. In addition, this reaction should be taken for 48 hours. The other condition is heating.
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You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)=O
2.InChI: InChI=1/C7Cl6O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10
3.InChIKey: AAUSLOKBERXEER-UHFFFAOYAK