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CAS No.: | 120466-66-2 |
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Name: | (R)-1-(2-CHLOROPHENYL)ETHANOL |
Article Data: | 265 |
Molecular Structure: | |
Formula: | C8H9ClO |
Molecular Weight: | 156.612 |
Synonyms: | Benzenemethanol,2-chloro-a-methyl-, (R)-;(+)-1-(o-Chlorophenyl)ethanol;(aR)-2-Chloro-a-methylbenzenemethanol; |
Density: | 1.182 g/cm3 |
Boiling Point: | 231.417 °C at 760 mmHg |
Flash Point: | 93.758 °C |
Solubility: | Slightly soluble in water. |
PSA: | 20.23000 |
LogP: | 2.39330 |
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The Benzenemethanol,2-chloro-a-methyl-, (aR)-, with the CAS registry number 120466-66-2, is also known as (R)-1-(2-Chlorophenyl)ethanol. It belongs to the product category of Chiral Reagent. This chemical's molecular formula is C8H9ClO and molecular weight is 156.61. What's more, both its IUPAC name and systematic name are the same which is called (1R)-1-(2-Chlorophenyl)ethanol.
Physical properties about Benzenemethanol,2-chloro-a-methyl-, (aR)- are: (1)ACD/LogP: 1.968; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.42; (6)ACD/BCF (pH 7.4): 18.42; (7)ACD/KOC (pH 5.5): 280.12; (8)ACD/KOC (pH 7.4): 280.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 42.235 cm3; (15)Molar Volume: 132.456 cm3; (16)Surface Tension: 40.98 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 93.758 °C; (19)Enthalpy of Vaporization: 49.47 kJ/mol; (20)Boiling Point: 231.417 °C at 760 mmHg; (21)Vapour Pressure: 0.035 mmHg at 25 °C.
Preparation of Benzenemethanol,2-chloro-a-methyl-, (aR)-: this chemical can be prepared by 1-(2-Chloro-phenyl)-ethanone. This reaction needs reagent Geotrichum candidum IFO 4597 cells and solvent H2O. The yield is 46 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1[C@H](O)C
(2) InChI: InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
(3) InChIKey: DDUBOVLGCYUYFX-ZCFIWIBFSA-N