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CAS No.: | 53066-19-6 |
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Name: | 1-(2,6-dichlorophenyl)ethanol |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H8Cl2O |
Molecular Weight: | 191.057 |
Synonyms: | 2,6-Dichloro-α-methylbenzyl alcohol;2,6-Dichlorophenyl methyl carbinol; |
EINECS: | 258-340-2 |
Density: | 1.323g/cm3 |
Melting Point: | 34-35℃ |
Boiling Point: | 261.9 °C at 760 mmHg |
Flash Point: | 113.2 °C |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 3.04670 |
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The 1-(2,6-dichlorophenyl)ethanol, with the CAS registry number 53066-19-6, is also known as 2,6-Dichloro-α-methylbenzyl alcohol and 2,6-Dichlorophenyl methyl carbinol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols. Its EINECS registry number is 258-340-2. This chemical's molecular formula is C8H8Cl2O and molecular weight is 191.0545. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,6-Dichlorophenyl)ethanol. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 2.59; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 54.23; (6)ACD/BCF (pH 7.4): 54.23; (7)ACD/KOC (pH 5.5): 606.7; (8)ACD/KOC (pH 7.4): 606.7; (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: 1.566; (14)Molar Refractivity: 47.12 cm3; (15)Molar Volume: 144.4 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.323 g/cm3; (18)Flash Point: 113.2 °C; (19)Enthalpy of Vaporization: 52.79 kJ/mol; (20)Boiling Point: 261.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00569 mmHg at 25 °C.
Preparation of 1-(2,6-dichlorophenyl)ethanol: this chemical can be prepared by 2,6-Dichloro-benzaldehyde and Methylmagnesium iodide.
This reaction needs reagent Diethyl ether. The yield is 87%.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(Cl)c1C(O)C
(2) InChI: InChI=1/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
(3) InChIKey: VUSOJMQVQGKPNN-UHFFFAOYAX