2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1)
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2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1)
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CAS No:
62037-46-1
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Formula:
C3H8ClNO.ClH
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Chemical Name:
2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1)
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Synonyms:
2-Propanol,1-amino-3-chloro-,hydrochloride (1:1);2-Propanol,1-amino-3-chloro-,hydrochloride;3-Chloro-2-hydroxypropylamine hydrochloride;3-Chloro-2-hydroxypropylammonium chloride;3-Chloro-2-hydroxy-1-propanamine hydrochloride;1-Amino-3-chloro-2-propanol hydrochloride;(±)-1-Amino-3-chloro-2-propanol hydrochloride;dl-1-Amino-3-chloro-2-propanol-hydrochloride;34839-12-8
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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.
2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1) Use and Manufacturing
The reaction flask was charged with 1200 ml of ethanol and 111.3 g of benzaldehyde (1.05 mol)110 ml of 25percent aqueous ammonia (1.60 mol) was added, and after stirring for 15 minutes, 92 g of epichlorohydrin (1.00 mol)The control temperature was lower than 40 ° C, the addition was completed, reacted at 35-40 ° C for 8 hours, and then reacted at room temperature for 15 hours, After vapor phase detection of epichlorohydrin almost completely disappeared, the reaction solution was concentrated to remove about 1/3 volume of ethanol, Then, 800 ml of toluene was added, and the mixture was stirred at a temperature of 35 to 40 ° C and 270 ml of 6N hydrochloric acid (1.62 mol)After completion of the dropwise addition, the reaction was continued for 6 hours at this temperature, and after the completion of the reaction, The upper layer was washed with water, the aqueous layers were combined, concentrated to dryness, and the residue was concentrated by adding absolute ethanol, Finally, toluene was added to concentrate to remove the contained water, and the resulting residue was recrystallized from ethanol and ethyl acetate, To give 108.1 g of a white solid, compound II; mp: 127-130 ° C, molar yield: 74.04percent (calculated as epichlorohydrin).
Computed Properties
Molecular Weight:146.01
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:145.0061193
Monoisotopic Mass:145.0061193
Topological Polar Surface Area:46.2
Heavy Atom Count:7
Complexity:34
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-Propanol, 1-amino-3-chloro-, hydrochloride (1:1)
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