1-Acetyl-1H-indole-2,3-dione
1-Acetyl-1H-indole-2,3-dione structure
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Common Name | 1-Acetyl-1H-indole-2,3-dione | ||
|---|---|---|---|---|
| CAS Number | 574-17-4 | Molecular Weight | 189.16700 | |
| Density | 1.413 g/cm3 | Boiling Point | 345.4ºC at 760 mmHg | |
| Molecular Formula | C10H7NO3 | Melting Point | 141-143°C | |
| MSDS | N/A | Flash Point | 165.8ºC | |
Summary: 1-Acetyl-1H-indole-2,3-dione (N-acetylisatin), CAS号574-17-4, has a molecular formula of C10H7NO3 and a molecular weight of 189.167. It is a light yellow to orange crystalline solid with a melting point of 141-143°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-acetylisatin |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.413 g/cm3 |
|---|---|
| Boiling Point | 345.4ºC at 760 mmHg |
| Melting Point | 141-143°C |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.16700 |
| Flash Point | 165.8ºC |
| Exact Mass | 189.04300 |
| PSA | 54.45000 |
| LogP | 0.82740 |
| Index of Refraction | 1.617 |
| InChIKey | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| SMILES | CC(=O)N1C(=O)C(=O)c2ccccc21 |
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.
| Safety Phrases | S22-S24/25 |
|---|---|
| RTECS | NL7873800 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 22, # 11 p. 2163 - 2172 Zhurnal Organicheskoi Khimii, , vol. 22, # 11 p. 2409 - 2420 |
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1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Radul, O. M.; Zhungietu, G. I.; Rekhter, M. A.; Bukhanyuk, S. M. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , vol. 19, # 3 p. 286 - 288 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , # 3 p. 353 - 355 |
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~92%
1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Nayyar, Amit; Jain, Rahul Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008 , vol. 47, # 1 p. 117 - 128 |
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1-Acetyl-1H-ind... CAS#:574-17-4
Learn More
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| Literature: Farmaco, Edizione Scientifica, , vol. 37, # 12 p. 815 - 823 |
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1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Chemische Berichte, , vol. 51, p. 430 |
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1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 22, # 11 p. 2163 - 2172 Zhurnal Organicheskoi Khimii, , vol. 22, # 11 p. 2409 - 2420 |
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1-Acetyl-1H-ind... CAS#:574-17-4 |
| Literature: Chemische Berichte, , vol. 37, p. 944 |
![1,1'-diacetyl-3,3'-dihydroxy-1,3,1',3'-tetrahydro-[3,3']biindolyl-2,2'-dione structure](https://image.chemsrc.com/caspic/131/774581-05-4.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 10 | |
CAS#:487-16-1
CAS#:110829-23-7
CAS#:110829-24-8
CAS#:607-28-3
CAS#:22724-43-2
CAS#:59-48-3
CAS#:7671-90-1
CAS#:32375-61-4
CAS#:89-52-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Inhibition of human intestinal carboxylesterase expressed in sf21 cells
Source: ChEMBL
Target: N/A
External Id: CHEMBL918626
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Name: Inhibition of human liver CE1 expressed in sf21 cells
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL918627
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Name: Inhibition of rabbit liver carboxylesterase expressed in sf21 cells
Source: ChEMBL
Target: N/A
External Id: CHEMBL918628
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Selectivity index, ratio of IC50 for MAO-B in bovine brain mitochondria to IC50 for M...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3579060
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Name: Inhibition of human AChE
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL918629
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Acetyl-1H-indole-2,3-dione |
| 1-acetylindole-2,3-dione |
| MFCD00158542 |
| EINECS 209-368-9 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of N-acetylisatin? |
| A: CAS number of N-acetylisatin is 574-17-4. |
| Q: What are the downstream products of N-acetylisatin? |
| A: Related downstream products(CAS) of N-acetylisatin: 487-16-1;110829-23-7;110829-24-8;607-28-3;22724-43-2;59-48-3;7671-90-1;32375-61-4;91-56-5;89-52-1. |
| Q: What is the SMILES notation of N-acetylisatin? |
| A: SMILES notation of N-acetylisatin is CC(=O)N1C(=O)C(=O)c2ccccc21. |
| Q: What is the LogP of N-acetylisatin? |
| A: LogP of N-acetylisatin is 0.82740. |
| Q: What is the English name of N-acetylisatin? |
| A: The English name of N-acetylisatin is N-acetylisatin. |
| Q: What English synonyms does N-acetylisatin have? |
| A: English synonyms of N-acetylisatin: 1-Acetyl-1H-indole-2,3-dione, 1-acetylindole-2,3-dione, MFCD00158542, EINECS 209-368-9. |
| Q: What is the InChIKey of N-acetylisatin? |
| A: InChIKey of N-acetylisatin is LPGDEHBASRKTDG-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of N-acetylisatin? |
| A: Polar surface area (PSA) of N-acetylisatin is 54.45000. |
| Q: What is the boiling point of N-acetylisatin? |
| A: Boiling point of N-acetylisatin is 345.4ºC at 760 mmHg. |
| Q: What is the molecular formula of N-acetylisatin? |
| A: Molecular formula of N-acetylisatin is C10H7NO3. |
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. |