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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

7-bromo-3,4-dihydro-2H-isoquinolin-1-one

Brc1ccc2c(c1)C(=O)NCC2 Request for Quotation
Chemical Name: 7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CAS Number: 891782-60-8
Product Number: AG0036QG(AGN-PC-04Z0YD)
Synonyms:
MDL No:
Molecular Formula: C9H8BrNO
Molecular Weight: 226.0699

Identification/Properties

Properties
MP:
100 - 102 °C
BP:
438.4 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
226.073g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
224.979g/mol
Monoisotopic Mass:
224.979g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


7-Bromo-3,4-dihydro-2H-isoquinolin-1-one is a versatile chemical compound widely utilized in chemical synthesis. This unique compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals due to its structural properties and reactivity. In the field of medicinal chemistry, it is frequently incorporated into drug molecules to enhance biological activity and pharmacological properties. Additionally, 7-Bromo-3,4-dihydro-2H-isoquinolin-1-one is employed in the synthesis of complex organic molecules through strategic functional group interconversions and coupling reactions. Its presence in the synthetic arsenal enables chemists to access diverse chemical space and efficiently prepare target compounds with high purity and yield.