4-Chlorophenylsulfonylacetone
4-Chlorophenylsulfonylacetone structure
|
Common Name | 4-Chlorophenylsulfonylacetone | ||
|---|---|---|---|---|
| CAS Number | 5000-48-6 | Molecular Weight | 232.68400 | |
| Density | 1.342 g/cm3 | Boiling Point | 396.2ºC at 760 mmHg | |
| Molecular Formula | C9H9ClO3S | Melting Point | 89-91 °C | |
| MSDS | N/A | Flash Point | 193.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chlorophenylsulfonylacetone |
|---|---|
| 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 | 1.342 g/cm3 |
|---|---|
| Boiling Point | 396.2ºC at 760 mmHg |
| Melting Point | 89-91 °C |
| Molecular Formula | C9H9ClO3S |
| Molecular Weight | 232.68400 |
| Flash Point | 193.4ºC |
| Exact Mass | 231.99600 |
| PSA | 59.59000 |
| LogP | 2.78350 |
| Index of Refraction | 1.54 |
| InChIKey | BRDBHPZILGTBFY-UHFFFAOYSA-N |
| SMILES | CC(=O)CS(=O)(=O)c1ccc(Cl)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5000-48-6: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 89 - 91 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C9H9ClO3S Molecular Weight: 232.69 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5000-48-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chlorophenylsulfonylacetone - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5000-48-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5000-48-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5000-48-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | 36/37/38-22 |
| Safety Phrases | S37/39-S26 |
| HS Code | 2914700090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~54%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Xie; Chen Synthetic Communications, 2001 , vol. 31, # 20 p. 3145 - 3149 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Pokhodylo, Nazariy T.; Matiychuk, Vasyl S.; Obushak, Mykola D. Synthesis, 2009 , # 14 art. no. Z03509SS, p. 2321 - 2323 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Troeger; Mueller Archiv der Pharmazie (Weinheim, Germany), 1914 , vol. 252, p. 45 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Ohta; Sudoh Yakugaku Zasshi, 1949 , vol. 69, p. 43,45 Chem.Abstr., 1950 , p. 1485 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Davis, Roman Synthetic Communications, 1987 , vol. 17, # 7 p. 823 - 828 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Ohta; Sudoh Yakugaku Zasshi, 1949 , vol. 69, p. 43,45 Chem.Abstr., 1950 , p. 1485 |
|
~%
4-Chlorophenyls... CAS#:5000-48-6 |
| Literature: Ferdinand,G. et al. Justus Liebigs Annalen der Chemie, 1976 , p. 1713 - 1726 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
|
|
Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00018663 |
| (4-Chlorophenylsulfonyl)acetone |
| 1-((4-Chlorophenyl)sulfonyl)propan-2-one |
| 1-(4-chlorophenyl)sulfonylpropan-2-one |
| 4-CHLOROPHENYLSULFONYLACETONE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-Chlorophenylsulfonylacetone? |
| A: LogP of 4-Chlorophenylsulfonylacetone is 2.78350. |
| Q: What is the safety information for 4-Chlorophenylsulfonylacetone? |
| A: Safety information for 4-Chlorophenylsulfonylacetone: S37/39-S26. |
| Q: What is the molecular weight of 4-Chlorophenylsulfonylacetone? |
| A: Molecular weight of 4-Chlorophenylsulfonylacetone is 232.68400. |
| Q: What English synonyms does 4-Chlorophenylsulfonylacetone have? |
| A: English synonyms of 4-Chlorophenylsulfonylacetone: MFCD00018663, (4-Chlorophenylsulfonyl)acetone, 1-((4-Chlorophenyl)sulfonyl)propan-2-one, 1-(4-chlorophenyl)sulfonylpropan-2-one, 4-CHLOROPHENYLSULFONYLACETONE. |
| Q: What is the SMILES notation of 4-Chlorophenylsulfonylacetone? |
| A: SMILES notation of 4-Chlorophenylsulfonylacetone is CC(=O)CS(=O)(=O)c1ccc(Cl)cc1. |
| Q: What is the molecular formula of 4-Chlorophenylsulfonylacetone? |
| A: Molecular formula of 4-Chlorophenylsulfonylacetone is C9H9ClO3S. |
| Q: What is the polar surface area (PSA) of 4-Chlorophenylsulfonylacetone? |
| A: Polar surface area (PSA) of 4-Chlorophenylsulfonylacetone is 59.59000. |
| Q: What is the InChIKey of 4-Chlorophenylsulfonylacetone? |
| A: InChIKey of 4-Chlorophenylsulfonylacetone is BRDBHPZILGTBFY-UHFFFAOYSA-N. |
| Q: What is the boiling point of 4-Chlorophenylsulfonylacetone? |
| A: Boiling point of 4-Chlorophenylsulfonylacetone is 396.2ºC at 760 mmHg. |
| Q: What is the CAS number of 4-Chlorophenylsulfonylacetone? |
| A: CAS number of 4-Chlorophenylsulfonylacetone is 5000-48-6. |
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. |