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CAS No.: | 101079-86-1 |
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Name: | 3,5-DICHLOROPHENYL THIOETHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8Cl2OS |
Molecular Weight: | 223.123 |
Synonyms: | 3,5-Dichlorophenyl thioethanol; |
Density: | 1.478 g/cm3 |
Boiling Point: | 327.7 °C at 760 mmHg |
Flash Point: | 152 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 45.53000 |
LogP: | 3.07780 |
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The Ethanol,2-[(3,5-dichlorophenyl)thio]-, with the CAS registry number 101079-86-1, is also known as 3,5-Dichlorophenyl thioethanol. It belongs to the product category of Alkohols. This chemical's molecular formula is C8H8Cl2OS and molecular weight is 223.12. Its systematic name is called 2-[(3,5-dichlorophenyl)sulfanyl]ethanol.
Physical properties of Ethanol,2-[(3,5-dichlorophenyl)thio]-: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.25; (6)ACD/BCF (pH 7.4): 129.25; (7)ACD/KOC (pH 5.5): 1129.7; (8)ACD/KOC (pH 7.4): 1129.7; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 55.21 cm3; (14)Molar Volume: 156.8 cm3; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 152 °C; (18)Enthalpy of Vaporization: 60.18 kJ/mol; (19)Boiling Point: 327.7 °C at 760 mmHg; (20)Vapour Pressure: 8.02E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(SCCO)cc(Cl)c1
(2)InChI: InChI=1/C8H8Cl2OS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2
(3)InChIKey: UVVZHCXFLPWEMD-UHFFFAOYAQ