| Identification | More | [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 Properties | Back 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 Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RTECS ]
TI3800000 | [HS Code ]
2932.20.4500 |
| Hazard Information | Back 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.
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