ChemicalBook--->CAS DataBase List--->78512-32-0

78512-32-0

78512-32-0 Structure

78512-32-0 Structure
IdentificationBack Directory
[Name]

5(6)-Nitrofluorescein
[CAS]

78512-32-0
[Synonyms]

5(6)-Nitrofluorescein
3',6'-Dihydroxy-5(or 6)-nitro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
[Molecular Formula]

C20H11NO7
[MDL Number]

MFCD00059693
[MOL File]

78512-32-0.mol
[Molecular Weight]

377.304
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[InChI]

InChI=1S/C20H11NO7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)20(15)14-4-1-10(21(25)26)7-13(14)19(24)28-20/h1-9,22-23H
[InChIKey]

UACQOMKZFGNRBL-UHFFFAOYSA-N
[SMILES]

O1C2(C3=C(C=C(O)C=C3)OC3=C2C=CC(O)=C3)C2=CC=C([N+]([O-])=O)C=C2C1=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

5(6)-Nitrofluorescein is the mixture of 5- and 6-nitrofluoresceine isomers. This compound is a useful compound that could be used to synthesize fluorescein 5-isothiocyanate.
[Synthesis]

A process for the preparation of a mixture (5(6)-Nitrofluorescein) of 3′,6′-dihydroxy-6-nitrospiro[2-benzofuran-3,9′-xanthene]-1-one and 3′,6′-dihydroxy-5-nitrospiro[2-benzofuran-3,9′- xanthene]-1-one comprising the steps of (a) reacting 4-nitrophthalic acid or 4-nitrophthalic anhydride with benzene-1,3-diol in methanesulphonic acid; (b) quenching the reaction in step (a) with a solvent to precipitate product; (c) isolating the precipitate; (d) heating the precipitate in water in order to hydrolyse any methansulphonic acid ester present.
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