2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE structure
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Common Name | 2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE | ||
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CAS Number | 7117-31-9 | Molecular Weight | 211.23800 | |
Density | 1.404g/cm3 | Boiling Point | 379.3ºC at 760 mmHg | |
Molecular Formula | C9H9NO3S | Melting Point | N/A | |
MSDS | USA | Flash Point | 183.2ºC |
Name | 1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-one |
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Synonym | More Synonyms |
Density | 1.404g/cm3 |
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Boiling Point | 379.3ºC at 760 mmHg |
Molecular Formula | C9H9NO3S |
Molecular Weight | 211.23800 |
Flash Point | 183.2ºC |
Exact Mass | 211.03000 |
PSA | 62.83000 |
LogP | 1.79470 |
Index of Refraction | 1.599 |
Synonym:3,4-Dihydro-1-methyl-2,2,4-trioxobenzo[c]-2,1-triazin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7117-31-9: 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 - off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 119 - 122 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: Specific Gravity/Density: Molecular Formula: C9H9NO3S Molecular Weight: 211 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7117-31-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-trione - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 7117-31-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7117-31-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7117-31-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi |
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~92% 2,2-DIOXO-1-MET... CAS#:7117-31-9 |
Literature: Shafiq, Muhammad; Zia-Ur-Rehman, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Khan, Siraj Ahmed Journal of the Chilean Chemical Society, 2011 , vol. 56, # 1 p. 527 - 531 |
~65% 2,2-DIOXO-1-MET... CAS#:7117-31-9 |
Literature: Volovenko, Yulian; Volovnenko, Tatyana; Popov, Kirill Journal of Heterocyclic Chemistry, 2007 , vol. 44, # 6 p. 1413 - 1419 |
~% 2,2-DIOXO-1-MET... CAS#:7117-31-9 |
Literature: Lombardino,J.G. et al. Journal of Heterocyclic Chemistry, 1972 , vol. 9, p. 315 - 317 |
~22%
Detail
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Literature: Cecchetti; Fravolini; Schiaffella Journal of Heterocyclic Chemistry, 1982 , vol. 19, # 5 p. 1045 - 1050 |
~% 2,2-DIOXO-1-MET... CAS#:7117-31-9 |
Literature: Shafiq, Muhammad; Zia-Ur-Rehman, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Khan, Siraj Ahmed Journal of the Chilean Chemical Society, 2011 , vol. 56, # 1 p. 527 - 531 |
~% 2,2-DIOXO-1-MET... CAS#:7117-31-9 |
Literature: Ukrainets; Petrushova; Dzyubenko Chemistry of Heterocyclic Compounds, 2013 , vol. 49, # 9 p. 1378 - 1383 Khim. Geterotsikl. Soedin., 2013 , vol. 49, # 9 p. 1479 - 1485,7 |
Precursor 6 | |
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DownStream 4 | |
1-Methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-trione |
2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one |
2,2-DIMETHYL-4-[3,4-(METHYLENEDIOXY)PHENYL]-4-OXOBUTYRIC ACID |
1-methyl-2,2-dioxo-2 |