6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
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6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
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CAS No:
147497-32-3
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Formula:
C9H8BrNO
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Chemical Name:
6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
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Synonyms:
6-bromo-3,4-dihydroisoquinolin-1(2H)-one;6-BROMO-3,4-1(1H)-ISOQUINOLINONE;6-BROMO-3,4-DIHYDRO-1(1H)-ISOQUINOLINONE;6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ON;1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-;6-Bromo-3,4-dihydro-1(2H)-isoquinolinone;6-BroMo-1-oxo-1,2,3,4-tetrahydroisoquinoline;6-broMo-1,2,3,4-tetrahydroisoquinolin-1-one
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CAS No:
6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE Basic Attributes
226.07
224.978912
DTXSID10619066
2933790090
Characteristics
29.1
1.9
1.559±0.06 g/cm3(Predicted)
170.0-173.1 °C
453.3±45.0 °C(Predicted)
227.9±28.7 °C
1.600
Safety Information
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, P501
H302
|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE Use and Manufacturing
Intermediate used in the synthesis of benzolactams as dopamine D3 receptor ligands.IT is also used in the synthesis of new, selective 3-aminopyrazole based MK2-inhibitors that was proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNFα release in cells.
Computed Properties
Molecular Weight:226.07
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:224.97893
Monoisotopic Mass:224.97893
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
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