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Name |
Benzene,2,4-dichloro-1-[(4-chlorophenyl)thio]- |
EINECS | N/A |
CAS No. | 55759-88-1 | Density | 1.46 g/cm3 |
PSA | 25.30000 | LogP | 5.79800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H7Cl3S | Boiling Point | 375.1 °C at 760 mmHg |
Molecular Weight | 289.6080 | Flash Point | 168.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Dichloro-1-[(4-chlorophenyl)thio]benzene; |
The Benzene, 2, 4-dichloro-1-[(4-chlorophenyl)thio]-, with the CAS registry number 55759-88-1, is also known as 2, 4-Dichloro-1-[(4-chlorophenyl)thio]benzene. This chemical's molecular formula is C12H7Cl3S and molecular weight is 289.6080. What's more, its IUPAC name is 2, 4-Dichloro-1-(4-chlorophenyl)sulfanylbenzene.
Physical properties about Benzene, 2, 4-dichloro-1-[(4-chlorophenyl)thio]- are: (1)ACD/LogP: 6.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.89; (4)ACD/LogD (pH 7.4): 6.89; (5)ACD/BCF (pH 5.5): 101591.84; (6)ACD/BCF (pH 7.4): 101591.84; (7)ACD/KOC (pH 5.5): 133502.3; (8)ACD/KOC (pH 7.4): 133502.3; (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: 1.67; (14)Molar Refractivity: 73.95 cm3; (15)Molar Volume: 197.7 cm3; (16)Polarizability: 29.31×10-24 cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 168.8 °C; (20)Enthalpy of Vaporization: 59.81 kJ/mol; (21)Boiling Point: 375.1 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(Cl)ccc2Sc1ccc(Cl)cc1
(2) InChI: InChI=1/C12H7Cl3S/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H
(3) InChIKey: VEJJRNAKABCDJC-UHFFFAOYAZ