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| CAS No.: | 13343-26-5 |
|---|---|
| Name: | 4-CHLORO DIPHENYL SULFIDE |
| Article Data: | 146 |
| Molecular Structure: | |
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| Formula: | C12H9ClS |
| Molecular Weight: | 220.722 |
| Synonyms: | Sulfide,p-chlorophenyl phenyl (6CI,7CI,8CI);1-Chloro-4-phenylsulfanylbenzene;4-Chlorophenyl phenyl sulfide;NSC 50728;Phenyl4-chlorophenyl sulfide;Phenyl p-chlorophenyl sulfide;p-Chlorodiphenylsulfide;p-Chlorophenyl phenyl sulfide; |
| Density: | 1.256 g/cm3 |
| Melting Point: | 62-64 °C |
| Boiling Point: | 339.097 °C at 760 mmHg |
| Flash Point: | 150.236 °C |
| PSA: | 25.30000 |
| LogP: | 4.49120 |
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Specification
The Benzene,1-chloro-4-(phenylthio)-, with CAS registry number 13343-26-5, has the systematic name of 1-chloro-4-(phenylsulfanyl)benzene. Besides this, it is also called 4-Chloro diphenyl sulfide. And the chemical formula of this chemical is C12H9ClS.
Physical properties of Benzene,1-chloro-4-(phenylthio)-: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6118.57; (6)ACD/BCF (pH 7.4): 6118.57; (7)ACD/KOC (pH 5.5): 17867.99; (8)ACD/KOC (pH 7.4): 17867.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 64.3 cm3; (15)Molar Volume: 175.6 cm3; (16)Polarizability: 25.49×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 55.94 kJ/mol; (21)Boiling Point: 339.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Sc1ccccc1)cc2
(2)InChI: InChI=1/C12H9ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3)InChIKey: RKMZTRDJSKGOCM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C12H9ClS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(5)Std. InChIKey: RKMZTRDJSKGOCM-UHFFFAOYSA-N