2,4-dinitrothiophene
2,4-dinitrothiophene structure
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Common Name | 2,4-dinitrothiophene | ||
|---|---|---|---|---|
| CAS Number | 5347-12-6 | Molecular Weight | 174.13500 | |
| Density | 1.697g/cm3 | Boiling Point | 312.4ºC at 760 mmHg | |
| Molecular Formula | C4H2N2O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 142.8ºC | |
Summary: 2,4-Dinitrothiophene (CAS号：5347-12-6) has a molecular formula of C4H2N2O4S and a molecular weight of 174.13500, with a boiling point of 312.4ºC. 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 | 2,4-dinitrothiophene |
|---|---|
| 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 | 1.697g/cm3 |
|---|---|
| Boiling Point | 312.4ºC at 760 mmHg |
| Molecular Formula | C4H2N2O4S |
| Molecular Weight | 174.13500 |
| Flash Point | 142.8ºC |
| Exact Mass | 173.97400 |
| PSA | 119.88000 |
| LogP | 2.61090 |
| Index of Refraction | 1.656 |
| InChIKey | RZKBGZBDWAUWMC-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1csc([N+](=O)[O-])c1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~69%
2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Manna, Srimanta; Maity, Soham; Rana, Sujoy; Agasti, Soumitra; Maiti, Debabrata Organic Letters, 2012 , vol. 14, # 7 p. 1736 - 1739 |
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~37%
2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Manna, Srimanta; Maity, Soham; Rana, Sujoy; Agasti, Soumitra; Maiti, Debabrata Organic Letters, 2012 , vol. 14, # 7 p. 1736 - 1739 |
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~22%
2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Morley, John O.; Matthews, Thomas P. Organic and Biomolecular Chemistry, 2006 , vol. 4, # 2 p. 359 - 366 |
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~%
2,4-dinitrothiophene CAS#:5347-12-6
Learn More
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| Literature: Babasinian Journal of the American Chemical Society, 1928 , vol. 50, p. 2753 Full Text Show Details Steinkopf; Hoepner Justus Liebigs Annalen der Chemie, 1933 , vol. 501, p. 174,182 |
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2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Steinkopf; Hoepner Justus Liebigs Annalen der Chemie, 1933 , vol. 501, p. 174,182 |
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2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Blatt et al. Journal of Organic Chemistry, 1957 , vol. 22, p. 1693 |
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2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Rinkes Recueil des Travaux Chimiques des Pays-Bas, 1933 , vol. 52, p. 538,547 |
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2,4-dinitrothiophene CAS#:5347-12-6 |
| Literature: Steinkopf; Hoepner Justus Liebigs Annalen der Chemie, 1933 , vol. 501, p. 174,182 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. 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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Thiophene,2,4-dinitro |
| Thiophene,4-dinitro |
| 3,5-dinitrothiophene |
| 2,4-Dinitro-thiophen |
| 2,4-dinitro-thiophene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2,4-dinitrothiophene? |
| A: Polar surface area (PSA) of 2,4-dinitrothiophene is 119.88000. |
| Q: What are the upstream materials of 2,4-dinitrothiophene? |
| A: Related upstream materials(CAS) of 2,4-dinitrothiophene: 6165-68-0;6165-69-1;2045-70-7;609-40-5;822-84-4;54728-27-7;100047-59-4;7697-37-2. |
| Q: What is the CAS number of 2,4-dinitrothiophene? |
| A: CAS number of 2,4-dinitrothiophene is 5347-12-6. |
| Q: What is the LogP of 2,4-dinitrothiophene? |
| A: LogP of 2,4-dinitrothiophene is 2.61090. |
| Q: What is the Chinese name of 5347-12-6? |
| A: Chinese name of 5347-12-6 is 5347-12-6. |
| Q: What is the SMILES notation of 2,4-dinitrothiophene? |
| A: SMILES notation of 2,4-dinitrothiophene is O=[N+]([O-])c1csc([N+](=O)[O-])c1. |
| Q: What is the molecular formula of 2,4-dinitrothiophene? |
| A: Molecular formula of 2,4-dinitrothiophene is C4H2N2O4S. |
| Q: What is the English name of 2,4-dinitrothiophene? |
| A: The English name of 2,4-dinitrothiophene is 2,4-dinitrothiophene. |
| Q: What is the boiling point of 2,4-dinitrothiophene? |
| A: Boiling point of 2,4-dinitrothiophene is 312.4ºC at 760 mmHg. |
| Q: What is the molecular weight of 2,4-dinitrothiophene? |
| A: Molecular weight of 2,4-dinitrothiophene is 174.13500. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |