4-Chlorobutyraldehyde diethyl acetal
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4-Chlorobutyraldehyde diethyl acetal
structure -
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CAS No:
6139-83-9
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Formula:
C8H17ClO2
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Chemical Name:
4-Chlorobutyraldehyde diethyl acetal
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Synonyms:
Butane,4-chloro-1,1-diethoxy-;Butyraldehyde,4-chloro-,diethyl acetal;4-Chloro-1,1-diethoxybutane;4-Chlorobutyraldehyde diethyl acetal;γ-Chlorobutyraldehyde diethyl acetal;4-Chlorobutanal diethyl acetal;NSC 96467
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CAS No:
Safety Information
Ⅲ
1993
3
26-36/37/39
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 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chlorobutyraldehyde diethyl acetal Use and Manufacturing
Preparation of 4-chlorobutyraldehyde diethyl acetal: A mixture of 13.7 grams (0.092 mole) of 4-chloro-1-acetoxy-1-butene, 100 ml (1.70 mol) of 95percent ethanol, about 5 grams of triethyl orthoformate (added to ensure anhydrous conditions), and 1.40 g of amberlyst 15 was stirred under reflux for 5 hours, at which time GC analysis indicated completion of the reaction.Workup and distillation as described above afforded 10.82 g (65percent yield) of product having a boiling point of 45-50° C. at 1 mm Hg.
intermediate for Sumatriptan, Rizatriptan, Almotriptan, Zolmitriptan
Computed Properties
Molecular Weight:180.67
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:180.0917075
Monoisotopic Mass:180.0917075
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 6139-83-9Grade: Pharmaceutical GradeContent: 99%
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4-Chlorobutyraldehyde diethyl acetal
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