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Name |
2-Chloro-6-(2,3,4,5-tetrachlorophenyl)phenol |
EINECS | N/A |
CAS No. | 67651-35-8 | Density | 1.608 g/cm3 |
PSA | 20.23000 | LogP | 6.32620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H5Cl5O | Boiling Point | 402.8 °C at 760 mmHg |
Molecular Weight | 342.4325 | Flash Point | 197.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2',3,3',4',5'-Pentachlorobiphenyl-2-ol; |
The 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol, with the CAS registry number 67651-35-8, is also known as 2', 3, 3', 4', 5'-Pentachlorobiphenyl-2-ol. This chemical's molecular formula is C12H5Cl5O and molecular weight is 342.4325. What's more, its IUPAC name is 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol.
Physical properties about 2-Chloro-6-(2, 3, 4, 5-tetrachlorophenyl)phenol are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 5229.5; (6)ACD/BCF (pH 7.4): 1099.33; (7)ACD/KOC (pH 5.5): 15746.71; (8)ACD/KOC (pH 7.4): 3310.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 77.2 cm3; (15)Molar Volume: 212.9 cm3; (16)Polarizability: 30.6×10-24 cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 197.4 °C; (20)Enthalpy of Vaporization: 67.95 kJ/mol; (21)Boiling Point: 402.8 °C at 760 mmHg; (22)Vapour Pressure: 4.59E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cc(Cl)c(Cl)c1Cl)c2cccc(Cl)c2O
(2) InChI: InChI=1/C12H5Cl5O/c13-7-3-1-2-5(12(7)18)6-4-8(14)10(16)11(17)9(6)15/h1-4,18H
(3) InChIKey: PDILDWLZTYCLCY-UHFFFAOYAN