4-(tert-butyl)benzene-1-carbothioamide structure
|
Common Name | 4-(tert-butyl)benzene-1-carbothioamide | ||
---|---|---|---|---|
CAS Number | 57774-77-3 | Molecular Weight | 193.30800 | |
Density | 1.058g/cm3 | Boiling Point | 288.7ºC at 760 mmHg | |
Molecular Formula | C11H15NS | Melting Point | 145-148 °C | |
MSDS | N/A | Flash Point | 128.4ºC |
Name | 4-(tert-Butyl)benzothioamide |
---|---|
Synonym | More Synonyms |
Density | 1.058g/cm3 |
---|---|
Boiling Point | 288.7ºC at 760 mmHg |
Melting Point | 145-148 °C |
Molecular Formula | C11H15NS |
Molecular Weight | 193.30800 |
Flash Point | 128.4ºC |
Exact Mass | 193.09300 |
PSA | 58.11000 |
LogP | 3.31860 |
Index of Refraction | 1.58 |
Storage condition | Refrigerator (+4°C) |
Synonym:4-(tert-Butyl)benzene-1-carbothioamid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed. 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: Harmful if swallowed. May cause irritation of the digestive tract. 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: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. 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# 57774-77-3: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 145 - 147 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: C11H15NS Molecular Weight: 193 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 57774-77-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-tert-Butylthiobenzamide - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. 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# 57774-77-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 57774-77-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 57774-77-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xn |
---|---|
Risk Phrases | R36/37/38 |
Safety Phrases | S37/39-S26 |
HS Code | 2930909090 |
~77% 4-(tert-butyl)b... CAS#:57774-77-3 |
Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2009/47240 A1, 2009 ; Location in patent: Page/Page column 75-76 ; WO 2009/047240 A1 |
~49% 4-(tert-butyl)b... CAS#:57774-77-3 |
Literature: Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695 |
Precursor 2 | |
---|---|
DownStream 0 |
HS Code | 2930909090 |
---|---|
Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
MFCD00052485 |
4-tert-butylbenzenecarbothioamide |