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| CAS No.: | 5182-44-5 |
|---|---|
| Name: | 3-Chlorophenethylalcohol |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | 2-(3-Chlorophenyl)ethanol;2-(3-Chlorophenyl)ethyl alcohol;3-Chlorophenethyl alcohol;Phenethylalcohol, m-chloro- (6CI,7CI,8CI);AC1L2W3V; |
| EINECS: | 225-964-1 |
| Density: | 1.189 g/cm3 |
| Boiling Point: | 257.2 °C at 760 mmHg |
| Flash Point: | 101.1 °C |
| Appearance: | Clear colorless to very slightly yellow liquid |
| Safety: | 23-24/25 |
| PSA: | 20.23000 |
| LogP: | 1.87480 |
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Specification
The Benzeneethanol,3-chloro- with CAS registry number of 5182-44-5 is also known as 3-Chlorophenethylalcohol. The IUPAC name is 2-(3-Chlorophenyl)ethanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols. Its EINECS registry number is 225-964-1. In addition, the formula is C8H9ClO and the molecular weight is 156.61. This chemical is a clear colorless to very slightly yellow liquid that can be used for organic synthesis. It is stable at normal temperature and pressure that should be sealed in cool, dry place. During using it, do not breathe gas/fumes/vapour/spray and avoid contact with skin or eyes.
Physical properties about Benzeneethanol,3-chloro- 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: 16.74x10-24cm3; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.189 g/cm3; (18)Flash Point: 101.1 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 257.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00756 mmHg at 25 °C.
Preparation of Benzeneethanol,3-chloro-. Firstly, m-bromochlorobenzene is made to grignard reagent. Then the grignard reagent reacts with acetaldehyde and ammonium chloride by turns. Finally, reaction product is isolated by vacuum distillation to obtain product.
Uses of Benzeneethanol,3-chloro-: it is used to produce 2-(3-chlorophenyl)ethyl bromide. The reaction occurs with reagents 48percent aq. HBr, H2SO4 and other condition of heating for 3 hours. The yield is about 89 %.
You can still convert the following datas into molecular structure:
1. SMILES: Clc1cc(ccc1)CCO
2. InChI: InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
3. InChIKey: NDWAVJKRSASRPH-UHFFFAOYAL
4. Std. InChI: InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
5. Std. InChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-N