1-Chloro-2-methyl-2-propanol
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1-Chloro-2-methyl-2-propanol
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CAS No:
558-42-9
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Formula:
C4H9ClO
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Chemical Name:
1-Chloro-2-methyl-2-propanol
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Synonyms:
2-Propanol,1-chloro-2-methyl-;1-Chloro-2-methyl-2-propanol;Isobutylene chlorohydrin;Chloro-tert-butyl alcohol;1,1-Dimethyl-2-chloroethyl alcohol;2-Chloro-1,1-dimethylethanol;NSC 46574
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CAS No:
1-Chloro-2-methyl-2-propanol Basic Attributes
108.57
108.57
209-196-4
46574
DTXSID20204381
2905590090
Safety Information
Ⅲ
3
1987
3
3
S23-S24/25
Xi:Irritant;
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Chloro-2-methyl-2-propanol Use and Manufacturing
General procedure: To a solution of substrate (1 mmol) and acetic anhydride (1.5 mmol) was added supported iron catalyst (Fe/SBA-15) (0.005 mmol, 0.085 g) and the mixture was stirred at 40 °C. After completion of the reaction (TLC), the reaction mixture was filtered and the catalyst rinsed with ethyl acetate and heated at 70 °C prior to its reuse in the next reaction. The organic layer was washed with saturated NaHCO3 and water, and dried over anhydrous sodium sulfate. The product was obtained after removal of the solvent.
Computed Properties
Molecular Weight:108.57
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:108.0341926
Monoisotopic Mass:108.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:42.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
