7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone
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7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone
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CAS No:
129722-34-5
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Formula:
C13H16BrNO2
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Chemical Name:
7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone
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Synonyms:
2(1H)-Quinolinone,7-(4-bromobutoxy)-3,4-dihydro-;7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone;7-(4-Bromobutoxy)-3,4-dihydro-2-quinolinone;Lanzapine;3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone
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CAS No:
7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone Basic Attributes
298.18
298.18
1308068-626-2
DTXSID00441550
2942000000
Characteristics
38.3
2.5
1.383±0.06 g/cm3(Predicted)
110.5-111 °C
463.4±45.0 °C(Predicted)
234.1ºC
1.573
Hygroscopic, Refrigerator, Under Inert Atmosphere
2.45E-08mmHg at 25°C
Safety Information
P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone Use and Manufacturing
An impurity in the synthesis of Aripiprazole (A771000). A degradation product in Aripiprazole tablets.
Computed Properties
Molecular Weight:298.18
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:297.03644
Monoisotopic Mass:297.03644
Topological Polar Surface Area:38.3
Heavy Atom Count:17
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone
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