2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile
2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile structure
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Common Name | 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile | ||
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| CAS Number | 56916-62-2 | Molecular Weight | 347.04500 | |
| Density | 1.62g/cm3 | Boiling Point | 490.1ºC at 760 mmHg | |
| Molecular Formula | C10H7Cl4NO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 250.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile |
|---|---|
| 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 | 1.62g/cm3 |
|---|---|
| Boiling Point | 490.1ºC at 760 mmHg |
| Molecular Formula | C10H7Cl4NO2S |
| Molecular Weight | 347.04500 |
| Flash Point | 250.2ºC |
| Exact Mass | 344.89500 |
| PSA | 66.31000 |
| LogP | 5.43478 |
| Index of Refraction | 1.601 |
| InChIKey | GGTVKEBYBCEUQC-UHFFFAOYSA-N |
| SMILES | CC(C)S(=O)(=O)c1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl |
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.
| 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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2,3,5,6-tetrach... CAS#:56916-62-2 |
| Literature: Heilman; Battershell; Pyne; Goble; Magee Journal of Medicinal Chemistry, 1978 , vol. 21, # 9 p. 906 - 913 |
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~%
2,3,5,6-tetrach... CAS#:56916-62-2 |
| Literature: Heilman; Battershell; Pyne; Goble; Magee Journal of Medicinal Chemistry, 1978 , vol. 21, # 9 p. 906 - 913 |
This 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: Antiinflammatory activity in Long Evans rat assessed as reduction of carrageenan-indu...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3253010
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Name: Toxicity in mouse assessed as overt effects
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3257605
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzonitrile,4-((1-methylethyl)sulfonyl)-2,3,5,6-tetrachloro |
| 4-((1-Methylethyl)sulfonyl)-2,3,5,6-tetrachlorobenzonitrile |
| 4-((ISOPROPYL)SULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE |
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 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: CAS number of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is 56916-62-2. |
| Q: What English synonyms does 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile have? |
| A: English synonyms of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile: Benzonitrile,4-((1-methylethyl)sulfonyl)-2,3,5,6-tetrachloro, 4-((1-Methylethyl)sulfonyl)-2,3,5,6-tetrachlorobenzonitrile, 4-((ISOPROPYL)SULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE. |
| Q: What is the English name of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: The English name of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile. |
| Q: What is the molecular formula of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: Molecular formula of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is C10H7Cl4NO2S. |
| Q: What is the LogP of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: LogP of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is 5.43478. |
| Q: What is the molecular weight of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: Molecular weight of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is 347.04500. |
| Q: What is the SMILES notation of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: SMILES notation of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is CC(C)S(=O)(=O)c1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl. |
| Q: What is the Chinese name of 56916-62-2? |
| A: Chinese name of 56916-62-2 is 56916-62-2. |
| Q: What is the InChIKey of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: InChIKey of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is GGTVKEBYBCEUQC-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile? |
| A: Polar surface area (PSA) of 2,3,5,6-tetrachloro-4-propan-2-ylsulfonylbenzonitrile is 66.31000. |