5-Chloro-2,3-dihydro-1H-inden-1-ol
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5-Chloro-2,3-dihydro-1H-inden-1-ol
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CAS No:
33781-38-3
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Formula:
C9H9ClO
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Chemical Name:
5-Chloro-2,3-dihydro-1H-inden-1-ol
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Synonyms:
1H-Inden-1-ol,5-chloro-2,3-dihydro-;1-Indanol,5-chloro-;5-Chloro-2,3-dihydro-1H-inden-1-ol;5-Chloro-1-indanol
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Chloro-2,3-dihydro-1H-inden-1-ol Use and Manufacturing
To a solution of 5-chloro-2, 3-dihydro-1H-inden-1-one (500g. 301.2 mrnol) in TI-IF (500 mL) was added sodium borohydride solution (23.0 g, 602.4 mmol) in water (100 mE) at 0 °C drop-wise in I h. The resulting reaction mixture was stirred at ambient temperalure for 12 h. After completion, thereaction mixture was quenched with water (500 mL) and extracted with ethyl acetate (3 x 1500 mE), The organic layers were combined, dried over sodium sulfate and concentrated under reduced pressure to obtain a racemic mixture of (S)-5-chioro-2, 3-dihydro- IH-inden- 1 -ol and (R)-5-chloro-2, 3-dihydro- 1H-inden- 1-ol (48.0 g, 94.8 percent yield), which was used in next step without purification.
Computed Properties
Molecular Weight:168.62
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:149
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-Chloro-2,3-dihydro-1H-inden-1-ol
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