2-Chlorobenzeneethanol
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2-Chlorobenzeneethanol
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CAS No:
19819-95-5
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Formula:
C8H9ClO
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Chemical Name:
2-Chlorobenzeneethanol
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Synonyms:
Benzeneethanol,2-chloro-;Phenethyl alcohol,o-chloro-;2-Chlorobenzeneethanol;2-(2-Chlorophenyl)ethanol;2-Chlorophenethyl alcohol;2-Chlorophenethanol;2-(2-Chlorophenyl)ethan-1-ol
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CAS No:
Characteristics
20.2
2.1
Clear colorless Liquid
1.19 g/mL at 25 °C(lit.)
58-61 °C @ Press: 0.08 Torr
>230 °F
n 20/D 1.551(lit.)
0.0435mmHg at 25°C
Safety Information
NONH for all modes of transport
3
24/25
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Chlorobenzeneethanol Use and Manufacturing
In the preparation of the starting material may exist during the adjacent S1 and S1, and isopropanolamine docking reactionAfter ring-closure reaction can be impurities B, C, D. The reaction is as follows:Specific operations are as follows: 20g of o-chlorophenylacetic acid (o-S1) was added to 200ml of tetrahydrofuran, Stirring was cooled to 0 ° C, 8.9g lithium aluminum hydride added in batches, plus Bi, warmed to 25 ~ 30 ° C reaction, After the reaction was added 300ml of water, dichloromethane 400ml, liquid separation, The organic phase was added to 20 g of anhydrous sodium sulfate, dried and concentrated under reduced pressure at 30-35 ° C., Obtained light yellow oil (o-S1-1): 18.3g; under ice bath, To the adjacent S1-1 bottle dropping phosphorus tribromide, dropping temperature during the 0 ~ 10 , dropsInsulation Stir 10min after the completion of a white smoke generation, warming to 75 ~ 80 , stirring insulation 2h, After completion of the reaction was added 30ml saturated sodium bicarbonate solution, 200ml of ethyl acetate, stirred for 20min, Liquid separation, the organic phase was added 20g anhydrous sodium sulfate after drying 40 ~ 45Concentration under reduced pressure gave a yellow liquid (vicinal S2): 22.4 g Yield: 87.0percent
Computed Properties
Molecular Weight:156.61
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:156.0341926
Monoisotopic Mass:156.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:95.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
