Cas no 5398-11-8 (3-Phenylphthalide)
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:
2932209090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | VZ489-1g |
3-Phenylphthalide |
5398-11-8 | 98.0%(GC) | 1g |
¥229.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | VZ489-5g |
3-Phenylphthalide |
5398-11-8 | 98.0%(GC) | 5g |
¥737.0 | 2022-06-10 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | P1806-5G |
3-Phenylphthalide |
5398-11-8 | >98.0%(GC) | 5g |
¥530.00 | 2023-09-07 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | P1806-25G |
3-Phenylphthalide |
5398-11-8 | >98.0%(GC) | 25g |
¥1675.00 | 2023-09-07 | |
| eNovation Chemicals LLC | D769310-25g |
3-PHENYLPHTHALIDE |
5398-11-8 | 98.0% | 25g |
$165 | 2024-06-07 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160558-1g |
3-Phenylphthalide |
5398-11-8 | 98% | 1g |
¥111.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160558-25G |
3-Phenylphthalide |
5398-11-8 | 98% | 25g |
¥1342.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160558-5G |
3-Phenylphthalide |
5398-11-8 | 98% | 5g |
¥381.90 | 2023-09-01 | |
| abcr | AB180102-5 g |
3-Phenylphthalide, 98%; . |
5398-11-8 | 98% | 5 g |
€70.70 | 2023-07-20 | |
| abcr | AB180102-25 g |
3-Phenylphthalide, 98%; . |
5398-11-8 | 98% | 25 g |
€192.00 | 2023-07-20 |
3-Phenylphthalide Related Literature
-
Masaaki Yohda,Yasunori Yamamoto Org. Biomol. Chem. 2015 13 10874
-
Norio Sakai,Shuhei Horikawa,Yohei Ogiwara RSC Adv. 2016 6 81763
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3. Persulphate oxidations. Part VII. Oxidation of o-benzyl- and o-benzoyl-benzamidesA. R. Forrester,A. S. Ingram,R. H. Thomson J. Chem. Soc. Perkin Trans. 1 1972 2853
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Rui Qi,Tianwen Bai,Shuwang Tang,Ming Hou,Zhide Zhang,Wenlin Xie,Yangling Deng,Hongwei Zhou,Guanyinsheng Qiu Org. Biomol. Chem. 2023 21 5382
-
Andreas Herrmann Photochem. Photobiol. Sci. 2012 11 446
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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