Phthalide
Phthalide structure
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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 | Chinese USA | Flash Point | 124.8±22.2 °C | |
Use of PhthalidePhthalide 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]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-benzofuran-1(3H)-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:6295-21-2
CAS#:95-47-6
CAS#:201230-82-2
CAS#:5159-41-1
CAS#:70744-47-7![[2-(hydroxymethyl)phenyl] trifluoromethanesulfonate Structure](https://image.chemsrc.com/caspic/092/112533-09-2.png)
CAS#:112533-09-2
CAS#:612-14-6
CAS#:18982-54-2
CAS#:92804-32-5
CAS#:118-90-1
CAS#:108475-90-7
CAS#:55453-87-7
CAS#:5388-42-1
CAS#:57319-65-0
CAS#:496-14-0
CAS#:34040-62-5
CAS#:42908-86-1
CAS#:85-44-9
CAS#:55453-89-9
CAS#:40819-28-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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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... |
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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... |
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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... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-benzofuran-1(3H)-one? |
| A: SMILES notation of 2-benzofuran-1(3H)-one is O=C1OCc2ccccc21. |
| Q: What is the molecular formula of 2-benzofuran-1(3H)-one? |
| A: Molecular formula of 2-benzofuran-1(3H)-one is C8H6O2. |
| Q: What is the English name of 2-benzofuran-1(3H)-one? |
| A: The English name of 2-benzofuran-1(3H)-one is 2-benzofuran-1(3H)-one. |
| Q: What is the CAS number of 2-benzofuran-1(3H)-one? |
| A: CAS number of 2-benzofuran-1(3H)-one is 87-41-2. |
| Q: What are the downstream products of 2-benzofuran-1(3H)-one? |
| A: Related downstream products(CAS) of 2-benzofuran-1(3H)-one: 108475-90-7;55453-87-7;5388-42-1;57319-65-0;496-14-0;34040-62-5;42908-86-1;85-44-9;55453-89-9;40819-28-1. |
| Q: What is the boiling point of 2-benzofuran-1(3H)-one? |
| A: Boiling point of 2-benzofuran-1(3H)-one is 290.0±0.0 °C at 760 mmHg. |
| Q: What is the melting point of 2-benzofuran-1(3H)-one? |
| A: Melting point of 2-benzofuran-1(3H)-one is 71-74 °C(lit.). |
| Q: What is the safety information for 2-benzofuran-1(3H)-one? |
| A: Safety information for 2-benzofuran-1(3H)-one: S26-S36-S24/25. |
| Q: What are the uses of 2-benzofuran-1(3H)-one? |
| A: Main uses of 2-benzofuran-1(3H)-one: 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]. |
| Q: What are the upstream materials of 2-benzofuran-1(3H)-one? |
| A: Related upstream materials(CAS) of 2-benzofuran-1(3H)-one: 6295-21-2;95-47-6;201230-82-2;5159-41-1;70744-47-7;112533-09-2;612-14-6;18982-54-2;92804-32-5;118-90-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |