chloro-3-pyridylsulfone structure
|
Common Name | chloro-3-pyridylsulfone | ||
|---|---|---|---|---|
| CAS Number | 42899-76-3 | Molecular Weight | 214.07 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 284.2±13.0 °C at 760 mmHg | |
| Molecular Formula | C5H5Cl2NO2S | Melting Point | 120-126ºC | |
| MSDS | Chinese USA | Flash Point | 125.7±19.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Pyridinesulfonyl chloride, HCl |
|---|---|
| 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 | 284.2±13.0 °C at 760 mmHg |
| Melting Point | 120-126ºC |
| Molecular Formula | C5H5Cl2NO2S |
| Molecular Weight | 214.07 |
| Flash Point | 125.7±19.8 °C |
| Exact Mass | 212.9418050 |
| PSA | 55.41000 |
| LogP | 0.89 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | VIVPWOMJFLICOZ-UHFFFAOYSA-N |
| SMILES | C1=CC(=CN=C1)S(=O)(=O)Cl.Cl |
| Storage condition | Store below -20C |
| Water Solubility | Reacts with water. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 3-Pyridinesulfonyl chloride, HCl Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H314:Causes severe skin burns and eye damage
H317:May cause an allergic skin reaction P280:Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P310:Immediately call a POISON CENTER or doctor/physician Section3. Composition/information on ingredients. Ingredient name:3-Pyridinesulfonyl chloride, HCl CAS number:42899-76-3 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate Eye contact: flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C5H4ClNO2S.HCl Molecular weight: 214.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information UN Number:UN1759Class: 8Packing group: II Proper shipping name: CORROSIVE SOLIDS, N.O.S. (3-Pyridinesulfonyl chloride, HCl) Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | C |
|---|---|
| Risk Phrases | 14-29-34 |
| Safety Phrases | 8-22-26-30-45-36/37/39 |
| RIDADR | UN 3265 8 / PGII |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~96%
chloro-3-pyridy... CAS#:42899-76-3 |
| Literature: Panchaud, Philippe; Renaud, Philippe Advanced Synthesis and Catalysis, 2004 , vol. 346, # 8 p. 925 - 928 |
|
~%
chloro-3-pyridy... CAS#:42899-76-3 |
| Literature: Pfizer Inc. Patent: US6124314 A1, 2000 ; |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Pyridinesulfonyl chloride |
| pyridine-3-sulfonyl chloride,hydrochloride |
| Pyridine-3-sulfonyl chloride hydrochloride |
| Pyridine-3-sulfonyl chloride |
| chloro-3-pyridylsulfone |
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 3-Pyridinesulfonyl chloride, HCl? |
| A: CAS number of 3-Pyridinesulfonyl chloride, HCl is 42899-76-3. |
| Q: What is the molecular weight of 3-Pyridinesulfonyl chloride, HCl? |
| A: Molecular weight of 3-Pyridinesulfonyl chloride, HCl is 214.07. |
| Q: What is the InChIKey of 3-Pyridinesulfonyl chloride, HCl? |
| A: InChIKey of 3-Pyridinesulfonyl chloride, HCl is VIVPWOMJFLICOZ-UHFFFAOYSA-N. |
| Q: What is the melting point of 3-Pyridinesulfonyl chloride, HCl? |
| A: Melting point of 3-Pyridinesulfonyl chloride, HCl is 120-126ºC. |
| Q: What is the English name of 3-Pyridinesulfonyl chloride, HCl? |
| A: The English name of 3-Pyridinesulfonyl chloride, HCl is 3-Pyridinesulfonyl chloride, HCl. |
| Q: What is the polar surface area (PSA) of 3-Pyridinesulfonyl chloride, HCl? |
| A: Polar surface area (PSA) of 3-Pyridinesulfonyl chloride, HCl is 55.41000. |
| Q: How is the water solubility of 3-Pyridinesulfonyl chloride, HCl? |
| A: Water solubility of 3-Pyridinesulfonyl chloride, HCl: Reacts with water. |
| Q: What is the SMILES notation of 3-Pyridinesulfonyl chloride, HCl? |
| A: SMILES notation of 3-Pyridinesulfonyl chloride, HCl is C1=CC(=CN=C1)S(=O)(=O)Cl.Cl. |
| Q: What is the molecular formula of 3-Pyridinesulfonyl chloride, HCl? |
| A: Molecular formula of 3-Pyridinesulfonyl chloride, HCl is C5H5Cl2NO2S. |
| Q: What is the LogP of 3-Pyridinesulfonyl chloride, HCl? |
| A: LogP of 3-Pyridinesulfonyl chloride, HCl is 0.89. |
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. |
| Henan Tianfu Chemical Co., Ltd. |