![3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonylchloride structure, CAS 31794-45-3](/structures/80000/72479_2_31794_45_3.png)
CAS Number31794-45-3
Synonyms6-(chlorosulfonyl)-2H,4H-benzo[e]1,4-oxazin-3-one; 3-oxo-3,4-dihydro-2H-1,4-benzooxazine-6-sulfonyl chloride; 3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-sulfonylchloride; 6-Chlorsulfonyl-2H-1,4-benzoxazin-3-on; 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride; 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride; 3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-sulphonyl chloride
Molecular FormulaC8H6ClNO4S
Molecular Weight247.66
Density1.582g/cm3
Boiling Point458ºC at 760mmHg
Melting Point178ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 31794-45-3 |
| Catalog No. | 2A-9072479 |
| Chinese Name | 3-氧代-3,4-二氢-2H-苯并[b][1,4]恶嗪-6-磺酰氯 |
| Synonyms | 6-(chlorosulfonyl)-2H,4H-benzo[e]1,4-oxazin-3-one; 3-oxo-3,4-dihydro-2H-1,4-benzooxazine-6-sulfonyl chloride; 3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-sulfonylchloride; 6-Chlorsulfonyl-2H-1,4-benzoxazin-3-on; 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride; 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride; 3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-sulphonyl chloride |
| Molecular Formula | C8H6ClNO4S |
| Molecular Weight | 247.66 |
| Density | 1.582g/cm3 |
| Boiling Point | 458ºC at 760mmHg |
| Melting Point | 178ºC |
| Storage Condition | 2-8°C |
| HTC | 2934999090 |
| PubChem ID | 7735899 |
| SMILES | O=C1COc2ccc(S(=O)(=O)Cl)cc2N1 |
| InChI | InChI=1S/C8H6ClNO4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11) |
| InChI Key | CGTCULUUVYBAPX-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. 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 Boiling point:No data Melting point: Flash point:No data Molecular weight:247.7 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 Section12. Ecological information 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 Non-harzardous for air and ground transportation. 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 Safety Information Hazard Codes C,Xi Risk Phrases R14 RIDADR UN 3261 HS Code 2934999090 Precursor & DownStream Precursor 3 CAS#:5466-88-6 2H-1,4-Benzoxaz... CAS#:95-55-6 aminophenol CAS#:89976-75-0 6-AMino-2H-1,4-... DownStream 1 CAS#:56077-77-1 6-mercapto-2H-1... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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