Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI)
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![Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8ba8a5df6844407ab3f1af61f4c9745c.png "Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI)")
Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI)
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CAS No:
115913-30-9
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Formula:
C9H12O2
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Chemical Name:
Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI)
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Synonyms:
Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI);1,3-Diacetylbicyclo(1,1,1)pentane;1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone;1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone;1-{3-acetylbicyclo[1.1.1]pentan-1-yl}ethan-1-one;1,1'-(bicyclo[1.1.1]pentane-1,3-diyl)bis(ethan-1-one);1,1-(Bicyclo[1.1.1]Pentane-1,3-Diyl)Diethanone(WXC00286)
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CAS No:
Characteristics
34.1
-0.1
1.249±0.06 g/cm3(Predicted)
65.1-66.9 °C
224.8±40.0 °C(Predicted)
81.4±24.3 °C
1.559
H2O: Slightly soluble (9.1 g/L) (25 ºC)
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethanone, 1,1-bicyclo[1.1.1]pentane-1,3-diylbis- (9CI) Use and Manufacturing
To the solution of the obtained compound 2 was added diacetyl (35 mL)Control the temperature at 15 ° C to 25 ° C, In the 80W to 150W medium pressure mercury lamp irradiation reaction 16 hours.The reaction system was concentrated directly to give the crude product, Recrystallization from n-hexane gave pure product of compound 4 (23 g) in 43percent yield.
Computed Properties
Molecular Weight:152.19
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:11
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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