ChemicalBook--->CAS DataBase List--->5398-11-8

5398-11-8

5398-11-8 Structure

5398-11-8 Structure
IdentificationMore
[Name]

3-PHENYLPHTHALIDE
[CAS]

5398-11-8
[Synonyms]

3-PHENYL-1(3H)-ISOBENZOFURANONE
3-PHENYLPHTHALIDE
AURORA KA-7267
TIMTEC-BB SBB008407
3-phenyl-1(3h)-isobenzofuranon
3-phenyl-phthalid
[EINECS(EC#)]

226-426-9
[Molecular Formula]

C14H10O2
[MDL Number]

MFCD00023099
[Molecular Weight]

210.23
[MOL File]

5398-11-8.mol
Chemical PropertiesBack Directory
[Melting point ]

120-122°C
[Boiling point ]

368.9±41.0 °C(Predicted)
[density ]

1.234±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

159678
[InChI]

InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H
[InChIKey]

SQFMIHCARVMICF-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)C(C2=CC=CC=C2)O1
[CAS DataBase Reference]

5398-11-8(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RTECS ]

TI3800000
[HS Code ]

2932.20.4500
Hazard InformationBack Directory
[Chemical Properties]

3-Phenylphthalide is a white crystalline solid that is practically insoluble in water but soluble in a wide variety of organic solvents.
[Synthesis Reference(s)]

Tetrahedron Letters, 36, p. 7089, 1995 DOI: 10.1016/0040-4039(95)01432-H
[Synthesis]

The reaction of phthalaldehyde acid with benzene in the presence of concentrated sulfuric acid at room temperature produces 3-Phenylphthalide within one hour in practically quantitative crude yield and 86% pure yield.
3-PHENYLPHTHALIDE synthesis route
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYLPHTHALIDE(5398-11-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Phenylphthalide, 99%(5398-11-8)
[Sigma Aldrich]

5398-11-8(sigmaaldrich)
[TCI AMERICA]

3-Phenylphthalide,>98.0%(GC)(5398-11-8)
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