CAS 87-41-2|Phthalide
| Common Name | Phthalide | ||
|---|---|---|---|
| CAS Number | 87-41-2 | Molecular Weight | 134.132 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 290.0±0.0 °C at 760 mmHg |
| Molecular Formula | C8H6O2 | Melting Point | 71-74 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 124.8±22.2 °C |
Names
| Name | 2-benzofuran-1(3H)-one |
|---|---|
| Synonym | More Synonyms |
Phthalide BiologicalActivity
| Description | Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant[1][2][3]. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
| References | [1]. Liu Zeng Chen, et al. Novel phthalide derivatives: Synthesis and anti-inflammatory activity in vitro and in vivo. Eur J Med Chem. 2020 Nov 15;206:112722. [2]. Chakapong Intaraudom, et al. Antimicrobial drimane - phthalide derivatives from Hypoxylon fendleri BCC32408. Fitoterapia. 2019 Oct;138:104353. [3]. Xin Fang, et al. Synthesis of phthalide derivatives and evaluation on their antiplatelet aggregation and antioxidant activities. J Asian Nat Prod Res. 2020 Dec;22(12):1176-1187. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 290.0±0.0 °C at 760 mmHg |
| Melting Point | 71-74 °C(lit.) |
| Molecular Formula | C8H6O2 |
| Molecular Weight | 134.132 |
| Flash Point | 124.8±22.2 °C |
| Exact Mass | 134.036774 |
| PSA | 26.30000 |
| LogP | 0.99 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.585 |
| InChIKey | WNZQDUSMALZDQF-UHFFFAOYSA-N |
| SMILES | O=C1OCc2ccccc21 |
| Water Solubility | sparingly soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,25,1953
Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | TI3520000 |
| HS Code | 29322980 |
Customs
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles27
More Articles| Development of an Immunosensor for Determination of the Fungicide Chlorothalonil in Vegetables, Using Surface Plasmon Resonance. J. Agric. Food Chem. 63 , 6325-30, (2015) An immunosensor based on surface plasmon resonance (SPR-sensor) was developed to analyze chlorothalonil residues and maximum residue limits (MRLs; 0.5-50 mg/kg) in vegetables in Japan. Conjugates of N... | |
| Palladium-catalyzed cascade aryl addition/intramolecular lactonization of phthalaldehyde to access 3-aryl- and alkenylphthalides. J. Org. Chem. 75(17) , 6043-5, (2010) A palladium-catalyzed addition of arylboronic acids to phthalaldehyde, followed by an intramolecular lactonization to access 3-substituted phthalides, is described. The procedure tolerates a series of... | |
| Design and synthesis of marine fungal phthalide derivatives as PPAR-γ agonists. Bioorg. Med. Chem. 20(16) , 4954-61, (2012) On the basis of a marine fungal phthalide (paecilocin A) skeleton, we synthesized 20 analogs and evaluated them for peroxisome proliferator-activated receptor gamma (PPAR-γ) binding and activation. Am... |
Synonyms
| 1-Isobenzofuranone |
| Rabcide |
| EINECS 201-744-0 |
| 1(3H)-4,5,6,7-tetrachloroisobenzofuranone |
| Fthalide |
| 3-oxo-1,3-dihydro-isobenzofuran |
| MFCD00005906 |
| 5-17-10-00007 (Beilstein Handbook Reference) |
| 1(3H)-Isobenzofuranone |
| isobenzofuran-1-one |
| 1-Phthalanone |
| KF-32 |
| 2-Hydroxymethylbenzoic acid, γ-lactone |
| PHH |
| 4,5,6,7-tetrachloro-1(3H)-isobenzofuranone |
| 4,5,6,7-Tetrachlorophthalidefthalide |
| 4,5,6,7-Tetrachlor-phthalid |
| Phthalide |
| 2-Benzofuran-1(3H)-one |
| 1H-Isobenzofuran-3-one |
| T56 BVO DHJ |
| 4,5,6,7-TETRACHLOROPHTHALIDE |
| 4,5,6,7-tetrachloroisobenzofuran-1(3H)-one |
| Isobenzofuranone |
| Phthalolactone |
