ChemicalBook--->CAS DataBase List--->102308-43-0

102308-43-0

102308-43-0 Structure

102308-43-0 Structure
IdentificationBack Directory
[Name]

4-BROMO-2-BENZOFURAN-1(3H)-ONE
[CAS]

102308-43-0
[Synonyms]

4-BROMOPHTHALIDE
4-Bromophthalide 97%
4-BROMOISOBENZOFURAN-1(3H)-ONE
4-BROMO-3H-ISOBENZOFURAN-1-ONE
4-BROMO-2-BENZOFURAN-1(3H)-ONE
4-Bromo-1(3H)-isobenzofuranone
1(3H)-Isobenzofuranone, 4-bromo-
4-broMo-1,3-dihydro-2-benzofuran-1-one
4-Bromo-3H-isobenzofuran-1-one, 4-Bromobenzo[c]furan-1(3H)-one
[EINECS(EC#)]

200-589-5
[Molecular Formula]

C8H5BrO2
[MDL Number]

MFCD06412577
[MOL File]

102308-43-0.mol
[Molecular Weight]

213.03
Chemical PropertiesBack Directory
[Melting point ]

103-104 °C(Solv: ethanol (64-17-5); water (7732-18-5))
[Boiling point ]

378.2±42.0 °C(Predicted)
[density ]

1.742±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[InChI]

InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
[InChIKey]

MACJSJRQNWAGJM-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C(Br)=CC=C2)CO1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2932209090
Hazard InformationBack Directory
[Uses]

4-Bromo-2-benzofuran-1[3H]-one is a versatile reactant used in various syntheses. It is used in preparation of Citalopram (C505000) analogs via Suzuki coupling. 4-Bromo-2-benzofuran-1[3H]-one is used in the synthesis of butylphthalide derivatives possessing vasorelaxant activity. Also used in the synthesis of Pentacyclines that are Tetracycline (T291400) analogs.
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-2-BENZOFURAN-1(3H)-ONE(102308-43-0)1HNMR
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