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6161-87-1

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Basic Information
CAS No.: 6161-87-1
Name: 2-(2,4,6-TRICHLOROPHENOXY)ETHANOL
Molecular Structure:
Molecular Structure of 6161-87-1 (2-(2,4,6-TRICHLOROPHENOXY)ETHANOL)
Formula: C8H7Cl3O2
Molecular Weight: 241.501
Synonyms: 2-(2,4,6-Trichlorophenoxy)ethanol;BTS 3037;NSC 68796;
Density: 1.478 g/cm3
Melting Point: 77 °C
Boiling Point: 340.6 °C at 760 mmHg
Flash Point: 159.8 °C
PSA: 29.46000
LogP: 3.01790
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Specification

The CAS register number of Ethanol, 2-(2,4,6-trichlorophenoxy)- is 6161-87-1. It also can be called as 2-(2,4,6-Trichloro-phenoxy)-ethanol and the IUPAC name about this chemical is 2-(2,4,6-trichlorophenoxy)ethanol. The molecular formula about this chemical is C8H7Cl3O2 and the molecular weight is 241.5.

Physical properties about Ethanol, 2-(2,4,6-trichlorophenoxy)- are: (1)ACD/LogP: 2.97; (2)ACD/LogD (pH 5.5): 2.97; (3)ACD/LogD (pH 7.4): 2.97; (4)ACD/BCF (pH 5.5): 106.97; (5)ACD/BCF (pH 7.4): 106.97; (6)ACD/KOC (pH 5.5): 986.63; (7)ACD/KOC (pH 7.4): 986.63; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 53.78 cm3; (14)Molar Volume: 163.3 cm3; (15)Polarizability: 21.32x10-24cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Enthalpy of Vaporization: 61.66 kJ/mol; (18)Boiling Point: 340.6 °C at 760 mmHg; (19)Vapour Pressure: 3.28E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)cc(Cl)c1OCCO
(2)InChI: InChI=1/C8H7Cl3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2
(3)InChIKey: LZTZSANFAWWCRW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7Cl3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2
(5)Std. InChIKey: LZTZSANFAWWCRW-UHFFFAOYSA-N