3-Nitro-4-chlorophenyl methyl sulfone structure
|
Common Name | 3-Nitro-4-chlorophenyl methyl sulfone | ||
|---|---|---|---|---|
| CAS Number | 97-07-4 | Molecular Weight | 235.645 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 414.2±45.0 °C at 760 mmHg | |
| Molecular Formula | C7H6ClNO4S | Melting Point | 175-1760C | |
| MSDS | N/A | Flash Point | 204.3±28.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-3-Nitrophenyl Methyl Sulfone |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 414.2±45.0 °C at 760 mmHg |
| Melting Point | 175-1760C |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.645 |
| Flash Point | 204.3±28.7 °C |
| Exact Mass | 234.970612 |
| PSA | 88.34000 |
| LogP | 0.85 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.573 |
| InChIKey | JAANTSGNTKWLFA-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S36 |
| RIDADR | 3249 |
| WGK Germany | 3 |
| RTECS | HQ4025500 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2904909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Nitro-4-chlor... CAS#:97-07-4 |
| Literature: DE622494 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 347,349 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Chloro-4-methanesulfonyl-2-nitro-benzene |
| 1-chloro-4-methylsulfonyl-2-nitrobenzene |
| EINECS 202-557-7 |
| Sulfone, 4-chloro-3-nitrophenyl methyl (8CI) |
| MFCD00039754 |
| 4-Chloro-3-nitrophenyl methyl sulphone |
| 3-Nitro-4-chlorophenyl methyl sulfone |
| Sulfone, 4-chloro-3-nitrophenyl methyl |
| 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene |
| 4-chloro-3-nitrophenyl methyl sulfone |
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 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Polar surface area (PSA) of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 88.34000. |
| Q: What is the safety information for 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Safety information for 4-Chloro-3-Nitrophenyl Methyl Sulfone: S36. |
| Q: What is the melting point of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Melting point of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 175-1760C. |
| Q: What is the LogP of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: LogP of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 0.85. |
| Q: What is the InChIKey of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: InChIKey of 4-Chloro-3-Nitrophenyl Methyl Sulfone is JAANTSGNTKWLFA-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Molecular weight of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 235.645. |
| Q: What is the molecular formula of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Molecular formula of 4-Chloro-3-Nitrophenyl Methyl Sulfone is C7H6ClNO4S. |
| Q: What is the English name of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: The English name of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 4-Chloro-3-Nitrophenyl Methyl Sulfone. |
| Q: What are the upstream materials of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Related upstream materials(CAS) of 4-Chloro-3-Nitrophenyl Methyl Sulfone: 98-57-7. |
| Q: What is the boiling point of 4-Chloro-3-Nitrophenyl Methyl Sulfone? |
| A: Boiling point of 4-Chloro-3-Nitrophenyl Methyl Sulfone is 414.2±45.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |