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CAS No.: | 1875-88-3 |
---|---|
Name: | 4-Chlorophenethylalcohol |
Article Data: | 90 |
Molecular Structure: | |
Formula: | C8H9ClO |
Molecular Weight: | 156.612 |
Synonyms: | Phenethylalcohol, p-chloro- (6CI,7CI,8CI);2-(4-Chlorophenyl)-1-ethanol;2-(4-Chlorophenyl)ethanol;2-(p-Chlorophenyl)ethanol;4-Chlorobenzeneethanol;NSC 404206;p-Chlorophenethyl alcohol;p-Chlorophenylethyl alcohol; |
EINECS: | 217-506-4 |
Density: | 1.189 g/cm3 |
Boiling Point: | 259 °C at 760 mmHg |
Flash Point: | 101.1 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 1.87480 |
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The CAS registry number of Benzeneethanol,4-chloro- is 1875-88-3. Its EINECS registry number is 217-506-4. The IUPAC name is 2-(4-chlorophenyl)ethanol. In addition, the molecular formula is C8H9ClO and the molecular weight is 156.61. It is also called 4-Chlorophenethyl alcohol. What's more, it is a kind of clear colorless liquid and belongs to the classes of Benzhydrols, Benzyl & Special Alcohols; API Intermediates; Alcohols; C7 to C8; Oxygen. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.99; (5)ACD/BCF (pH 7.4): 17.99; (6)ACD/KOC (pH 5.5): 275.44; (7)ACD/KOC (pH 7.4): 275.44; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 42.23 cm3; (14)Molar Volume: 131.7 cm3; (15)Polarizability: 16.74 ×10-24cm3; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.189 g/cm3; (18)Flash Point: 101.1 °C; (19)Enthalpy of Vaporization: 52.47 kJ/mol; (20)Boiling Point: 259 °C at 760 mmHg; (21)Vapour Pressure: 0.00679 mmHg at 25°C.
Preparation of Benzeneethanol,4-chloro-: it can be prepared by (4-chloro-phenyl)-oxirane. This reaction will need reagent chloroaluminium tetrahydroborate on poly(4-vinylpyridine) and solvent ethanol. The reaction time is 10 hours by heating. The yield is about 95%.
Uses of Benzeneethanol,4-chloro-: it can be used to get 4-chloro-phenethyl chloride. This reaction will need reagents Ph3P, pyridine hydrochloride and diethyl azodicarboxylate, and solvent CH2Cl2. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCO
(2)InChI: InChI=1/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
(3)InChIKey: HZFRKZWBVUJYDA-UHFFFAOYAI