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CAS No.: | 75968-40-0 |
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Name: | (R)-4-CHLORO-ALPHA-METHYLBENZYL ALCOHOL |
Article Data: | 350 |
Molecular Structure: | |
Formula: | C8H9ClO |
Molecular Weight: | 156.612 |
Synonyms: | Benzenemethanol,4-chloro-a-methyl-, (R)-;(+)-1-(4-Chlorophenyl)ethanol;(+)-1-(p-Chlorophenyl)ethanol;(1R)-1-(4-Chlorophenyl)ethanol;(R)-1-(4-Chlorophenyl)ethanol;(R)-1-(p-Chlorophenyl)ethanol;(aR)-4-Chloro-a-methylbenzenemethanol;R-4-Chloro-a-methylbenzyl alcohol;R-4'-Chlorophenylethanol; |
Density: | 1.182 g/cm3 |
Boiling Point: | 240.6 °C at 760 mmHg |
Flash Point: | 99.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41-52/53 |
Safety: | 26-39-61 |
PSA: | 20.23000 |
LogP: | 2.39330 |
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This chemical is called (R)-1-(4-Chlorophenyl)ethanol, and it can also be named as benzenemethanol, 4-chloro-α-methyl-, (alphaR)-. With the molecular formula of C8H9ClO, its molecular weight is 156.61. The CAS registry number of this chemical is 75968-40-0, and its product categories are Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds.
Other characteristics of the (R)-1-(4-Chlorophenyl)ethanol can be summarised as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.73; (6)ACD/BCF (pH 7.4): 18.73; (7)ACD/KOC (pH 5.5): 283.47; (8)ACD/KOC (pH 7.4): 283.47; (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: 1.55; (14)Molar Refractivity: 42.23 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 99.3 °C; (20)Enthalpy of Vaporization: 50.46 kJ/mol; (21)Boiling Point: 240.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0204 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed, and it has risk of serious damage to the eyes. You should wear eye / face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. This chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, please avoid releasing to the environment. If you want to use it, please refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)[C@H](O)C
2.InChI: InChI=1/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1
3.InChIKey: MVOSNPUNXINWAD-ZCFIWIBFBD