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CAS No.: | 330156-50-8 |
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Name: | (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C8H7Cl2FO |
Molecular Weight: | 209.047 |
Synonyms: | benzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-, (alphaR)-; |
EINECS: | 808-063-3 |
Density: | 1.406 g/cm3 |
Melting Point: | 41.0 to 45.0 °C |
Boiling Point: | 261.3 °C at 760 mmHg |
Flash Point: | 111.8 °C |
PSA: | 20.23000 |
LogP: | 3.18580 |
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The (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol, with the CAS registry number 330156-50-8, has the systematic name and IUPAC name of (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C8H7Cl2FO.
The characteristics of (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 65.86; (6)ACD/BCF (pH 7.4): 65.86; (7)ACD/KOC (pH 5.5): 697.24; (8)ACD/KOC (pH 7.4): 697.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 47.12 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 18.68×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 111.8 °C; (20)Enthalpy of Vaporization: 52.73 kJ/mol; (21)Boiling Point: 261.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00589 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(c(Cl)c(F)cc1)[C@H](O)C
(2)InChI: InChI=1/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m1/s1
(3)InChIKey: JAOYKRSASYNDGH-SCSAIBSYBY