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CAS No.: | 25167-82-2 |
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Name: | Trichlorophenol |
Molecular Structure: | |
Formula: | C6H3Cl3O |
Molecular Weight: | 197.4464 |
Synonyms: | Trichlorophenol;Trichlorophenol, isomer mixture;Trichlorphenol and its salts (all isomers over 2, 4, 5- and 2, 4, 6- Trichlorphenol); |
EINECS: | 246-694-0 |
Density: | 1.596 g/cm3 |
Melting Point: | 57.2°C |
Boiling Point: | 260.3 °C at 760 mmHg |
Flash Point: | 111.2 °C |
Transport Information: | 2020 |
PSA: | 20.23000 |
LogP: | 3.35240 |
The CAS register number of Phenol, trichloro- is 25167-82-2. It also can be called as Trichlorophenol and the systematic name about this chemical is 2,3,4-trichlorophenol. The molecular formula about this chemical is C6H3Cl3O and the molecular weight is 197.4464.
Physical properties about Phenol, trichloro- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 348.19; (5)ACD/BCF (pH 7.4): 119.56; (6)ACD/KOC (pH 5.5): 2280.27; (7)ACD/KOC (pH 7.4): 782.97; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 42.81 cm3; (14)Molar Volume: 123.7 cm3; (15)Polarizability: 16.97x10-24cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.596 g/cm3; (18)Flash Point: 111.2 °C; (19)Enthalpy of Vaporization: 51.8 kJ/mol; (20)Boiling Point: 260.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00763 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(O)c(Cl)c1Cl
(2)InChI: InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(3)InChIKey: HSQFVBWFPBKHEB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(5)Std. InChIKey: HSQFVBWFPBKHEB-UHFFFAOYSA-N