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CAS No.: | 6161-83-7 |
---|---|
Name: | 2-(3-CHLOROPHENOXY)ETHANOL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H9ClO2 |
Molecular Weight: | 172.611 |
Synonyms: | Ethanol,2-(m-chlorophenoxy)- (6CI,7CI);2-(3-Chlorophenoxy)ethanol;2-m-Chlorophenoxyethanol;m-Chlorophenoxyethanol; |
EINECS: | 228-191-8 |
Density: | 1.238 g/cm3 |
Boiling Point: | 279.7 °C at 760 mmHg |
Flash Point: | 123 °C |
PSA: | 29.46000 |
LogP: | 1.71110 |
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The Ethanol,2-(3-chlorophenoxy)-, with CAS registry number 6161-83-7, has the systematic name of 2-(3-chlorophenoxy)ethanol. Besides this, it is also called m-Chlorophenoxyethanol. And the chemical formula of this chemical is C8H9ClO2. What's more, its EINECS is 228-191-8.
Physical properties of Ethanol,2-(3-chlorophenoxy)-: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.03; (6)ACD/BCF (pH 7.4): 19.03; (7)ACD/KOC (pH 5.5): 286.67; (8)ACD/KOC (pH 7.4): 286.67; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 43.99 cm3; (15)Molar Volume: 139.3 cm3; (16)Polarizability: 17.44×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(OCCO)ccc1
(2)InChI: InChI=1/C8H9ClO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2
(3)InChIKey: GARMQVNIPCKVOJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H9ClO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2
(5)Std. InChIKey: GARMQVNIPCKVOJ-UHFFFAOYSA-N