2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo
2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo structure
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Common Name | 2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo | ||
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| CAS Number | 3589-45-5 | Molecular Weight | 200.19300 | |
| Density | 1.334g/cm3 | Boiling Point | 390.4ºC at 760mmHg | |
| Molecular Formula | C11H8N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 189.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(1,3-dioxoisoindol-2-yl)propanenitrile |
|---|---|
| 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 | 1.334g/cm3 |
|---|---|
| Boiling Point | 390.4ºC at 760mmHg |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.19300 |
| Flash Point | 189.9ºC |
| Exact Mass | 200.05900 |
| PSA | 61.17000 |
| LogP | 1.13418 |
| Index of Refraction | 1.602 |
| InChIKey | LOOWMCWVRNEZLZ-UHFFFAOYSA-N |
| SMILES | N#CCCN1C(=O)c2ccccc2C1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Martinkus; Tann; Gould Tetrahedron, 1983 , vol. 39, # 21 p. 3493 - 3505 |
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~40%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Sasson, Revital; Rozen, Shlomo Organic Letters, 2005 , vol. 7, # 11 p. 2177 - 2179 |
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~90%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali Tetrahedron Letters, 2007 , vol. 48, # 38 p. 6779 - 6784 |
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~99%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Dawadi, Prativa B. S.; Lugtenburg, Johan European Journal of Organic Chemistry, 2008 , # 13 p. 2288 - 2292 |
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~%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Buc Journal of the American Chemical Society, 1947 , vol. 69, p. 254 Full Text View citing articles Show Details Chodroff; Kapp; Beckmann Journal of the American Chemical Society, 1947 , vol. 69, p. 256 |
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~53%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Smushkevich, Y. I.; Smushkevich, V. Y.; Usorov, M. I. Journal of Chemical Research, Miniprint, 1999 , # 7 p. 1727 - 1736 |
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~%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Chodroff; Kapp; Beckmann Journal of the American Chemical Society, 1947 , vol. 69, p. 256 |
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~%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Chodroff; Kapp; Beckmann Journal of the American Chemical Society, 1947 , vol. 69, p. 256 |
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~30%
2H-Isoindole-2-... CAS#:3589-45-5 |
| Literature: Liebscher, Juergen; Pragst, Fritz; Anders, Sabine; Bechstein, Ute; Bohrisch, Joerg; et al. Journal fuer Praktische Chemie (Leipzig), 1988 , vol. 330, # 5 p. 847 - 850 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 6 | |
CAS#:4138-35-6
CAS#:107-95-9
CAS#:4773-14-2
CAS#:5457-29-4
CAS#:57001-43-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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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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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-N-phthalimidopropionitrile |
| 3-(1,3-dioxoisoindolin-2-yl)-propionitrile |
| 3-(1,3-dioxoisoindolin-2-yl)propanenitrile |
| nitrile of 3-phthalimidopropionic acid |
| N-(2-Cyanoethyl)phthalimide |
| 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile |
| 3-(1,3-dioxobenzo[c]azolin-2-yl)propanenitrile |
| N-(3-cyanoethyl)-phthalimide |
| 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: Related downstream products(CAS) of 3-(1,3-dioxoisoindol-2-yl)propanenitrile: 4138-35-6;151-18-8;107-95-9;4773-14-2;5457-29-4;57001-43-1. |
| Q: What is the CAS number of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: CAS number of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 3589-45-5. |
| Q: What is the molecular weight of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: Molecular weight of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 200.19300. |
| Q: What is the polar surface area (PSA) of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: Polar surface area (PSA) of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 61.17000. |
| Q: What is the SMILES notation of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: SMILES notation of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is N#CCCN1C(=O)c2ccccc2C1=O. |
| Q: What is the boiling point of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: Boiling point of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 390.4ºC at 760mmHg. |
| Q: What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: InChIKey of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is LOOWMCWVRNEZLZ-UHFFFAOYSA-N. |
| Q: What is the LogP of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: LogP of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 1.13418. |
| Q: What are the upstream materials of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: Related upstream materials(CAS) of 3-(1,3-dioxoisoindol-2-yl)propanenitrile: 574-98-1;143-33-9;88192-21-6;3891-07-4;107-13-1;85-44-9;151-18-8;3130-75-4;111-94-4. |
| Q: What is the English name of 3-(1,3-dioxoisoindol-2-yl)propanenitrile? |
| A: The English name of 3-(1,3-dioxoisoindol-2-yl)propanenitrile is 3-(1,3-dioxoisoindol-2-yl)propanenitrile. |
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. |