Cas no 5398-11-8 (3-Phenylphthalide)

3-Phenylphthalide is a versatile organic compound characterized by its phthalide core substituted with a phenyl group at the 3-position. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, dyes, and fine chemicals. Its stability under standard conditions and compatibility with various reaction conditions enhance its utility in multi-step synthetic routes. The compound's aromaticity and functional group adaptability allow for selective modifications, enabling the development of complex molecular architectures. Additionally, 3-Phenylphthalide exhibits potential applications in material science due to its photophysical properties. Its well-documented synthesis and handling protocols ensure reliable performance in research and industrial settings.
3-Phenylphthalide structure
3-Phenylphthalide structure
Product Name:3-Phenylphthalide
CAS No:5398-11-8
MF:C14H10O2
MW:210.228003978729
MDL:MFCD00023099
CID:85325
PubChem ID:87560754
Update Time:2025-05-20

3-Phenylphthalide Chemical and Physical Properties

Names and Identifiers

    • 3-Phenyl-1(3H)-isobenzofuranone
    • 3-Phenylphthalide
    • 3-phenyl-3H-2-benzofuran-1-one
    • 3-PHENYL-3H-ISOBENZOFURAN-1-ONE
    • 3-phenyl-2-benzofuran-1(3H)-one
    • 3-phenyl phthalide
    • Phthalide, 3-phenyl-
    • 3-Phenylisobenzofuran-1(3H)-one
    • 3-phenyl-1,3-dihydro-2-benzofuran-1-one
    • SQFMIHCARVMICF-UHFFFAOYSA-N
    • 1(3H)-Isobenzofuranone, 3-phenyl-
    • 3-phenyl-3-hydroisobenzofuran-1-one
    • Phenylphthalid
    • NSC4572
    • ChemDiv1_028316
    • 1-phenylisobenzofuran-3-one
    • MixCom6_000508
    • CBDivE_005981
    • MLS000699532
    • WLN: T5
    • P1806
    • FT-0616344
    • 5398-11-8
    • CHEMBL1454085
    • CCG-15399
    • SMR000224893
    • BRN 0159678
    • AKOS016038358
    • NSC 4572
    • WLN: T56 BVO DHJ DR
    • EN300-77918
    • CS-0199156
    • Z277558526
    • SCHEMBL247073
    • NSC-4572
    • HMS667H02
    • MFCD00023099
    • DTXSID901034942
    • ?3-PHENYLPHTHALIDE
    • AS-56883
    • EU-0034332
    • FT-0616343
    • EINECS 226-426-9
    • 5-17-10-00452 (Beilstein Handbook Reference)
    • NS00045173
    • NCGC00247107-01
    • AKOS002314904
    • SR-01000393658
    • D92158
    • AI3-18169
    • SR-01000393658-1
    • HMS2510A12
    • DB-052445
    • AE-641/02517056
    • MDL: MFCD00023099
    • 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
    • InChI Key: SQFMIHCARVMICF-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2C1C1C=CC=CC=1)=O
    • BRN: 0159678

Computed Properties

  • Exact Mass: 210.06800
  • Monoisotopic Mass: 210.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.234
  • Melting Point: 115.0 to 119.0 deg-C
  • Boiling Point: 368.9°Cat760mmHg
  • Flash Point: 154.5°C
  • Refractive Index: 1.622
  • PSA: 26.30000
  • LogP: 2.94640
  • Solubility: Not determined

3-Phenylphthalide Security Information

  • Safety Instruction: S22-S24/25
  • RTECS:TI3800000
  • Safety Term:S22;S24/25

3-Phenylphthalide Customs Data

  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Phenylphthalide Pricemore >>

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3-Phenylphthalide Production Method

Additional information on 3-Phenylphthalide

3-Phenylphthalide (CAS No. 5398-11-8): A Comprehensive Overview

3-Phenylphthalide (CAS No. 5398-11-8) is a versatile compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This aromatic compound, also known as benzophenone phthalide, is characterized by its unique molecular structure, which consists of a phthalide ring fused to a benzene ring. The compound has gained significant attention in recent years due to its potential therapeutic properties and its role in various chemical reactions.

The molecular formula of 3-Phenylphthalide is C14H10O2, and it has a molecular weight of approximately 206.23 g/mol. The compound is typically found as a white crystalline solid with a melting point of around 145-147°C. Its solubility in water is low, but it is soluble in organic solvents such as ethanol, acetone, and dichloromethane. These physical properties make it suitable for various synthetic and analytical applications.

In the realm of organic synthesis, 3-Phenylphthalide serves as an important intermediate in the preparation of more complex molecules. Its reactivity and stability have been extensively studied, and it has been used in the synthesis of pharmaceuticals, dyes, and other fine chemicals. Recent research has highlighted its potential as a building block for the development of new materials with unique optical and electronic properties.

The biological activity of 3-Phenylphthalide has also been a subject of interest. Studies have shown that this compound exhibits anti-inflammatory and antioxidant properties, making it a promising candidate for the treatment of various inflammatory diseases. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported that 3-Phenylphthalide derivatives effectively inhibited the production of pro-inflammatory cytokines in vitro, suggesting their potential use in anti-inflammatory therapies.

Beyond its anti-inflammatory effects, 3-Phenylphthalide has also been investigated for its potential anticancer properties. Research conducted at the National Cancer Institute found that certain derivatives of 3-Phenylphthalide demonstrated significant cytotoxic activity against various cancer cell lines, including breast cancer and lung cancer cells. These findings open up new avenues for the development of novel anticancer agents based on this compound.

In addition to its therapeutic applications, 3-Phenylphthalide has found use in analytical chemistry as a fluorescent probe. Its ability to emit light when excited by specific wavelengths makes it useful for detecting trace amounts of analytes in complex matrices. This property has been leveraged in environmental monitoring and clinical diagnostics, where accurate and sensitive detection methods are crucial.

The environmental impact of 3-Phenylphthalide is another area of ongoing research. While the compound itself is not considered highly toxic, its degradation products and potential bioaccumulation need to be carefully monitored to ensure environmental safety. Studies have shown that under certain conditions, 3-Phenylphthalide can be biodegraded by microorganisms, reducing its environmental impact.

In conclusion, 3-Phenylphthalide (CAS No. 5398-11-8) is a multifaceted compound with diverse applications in chemistry, biology, and pharmaceuticals. Its unique molecular structure and versatile properties make it an important molecule for both academic research and industrial applications. As ongoing research continues to uncover new uses and properties of this compound, it is likely to play an increasingly significant role in the development of innovative solutions across multiple fields.

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