Name | tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate |
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Synonyms |
2-Methyl-2-propanyl 4-(4-iodophenyl)-1-piperazinecarboxylate
4-(4-iodophenyl)-piperazine-1-carboxylic acid tert-butyl ester tert-butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate 4-(4-Iodophenyl)piperazine,N1-BOC protected t-butyl 4-(4-iodophenyl)piperazine-1-carboxylate 1-Piperazinecarboxylicacid,4-(4-iodophenyl)-,1,1-dimethylethyl ester 1-Piperazinecarboxylic acid, 4-(4-iodophenyl)-, 1,1-dimethylethyl ester |
Density | 1.5±0.1 g/cm3 |
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Boiling Point | 439.5±40.0 °C at 760 mmHg |
Melting Point | 150ºC |
Molecular Formula | C15H21IN2O2 |
Molecular Weight | 388.244 |
Flash Point | 219.6±27.3 °C |
Exact Mass | 388.064758 |
PSA | 32.78000 |
LogP | 3.66 |
Vapour Pressure | 0.0±1.1 mmHg at 25°C |
Index of Refraction | 1.584 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. 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# 151978-66-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: 149-150 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: C15H21IN2O2 Molecular Weight: 388.0637 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents, acids. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen iodide, iodine. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 151978-66-4 unlisted. LD50/LC50: Not available. Carcinogenicity: tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate - 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 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 24/25 Avoid contact with skin and eyes. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 151978-66-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 151978-66-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 151978-66-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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Literature: BRISTOL-MYERS SQUIBB PHARMA COMPANY Patent: WO2008/83056 A2, 2008 ; Location in patent: Page/Page column 60 ; |
~87% 151978-66-4 |
Literature: La Clair, James J. Angewandte Chemie - International Edition, 1998 , vol. 37, # 3 p. 325 - 329 |
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Literature: WO2007/97937 A1, ; Page/Page column 193 ; WO 2007/097937 A1 |
~92% 151978-66-4 |
Literature: Modi, Gyan; Antonio, Tamara; Reith, Maarten; Dutta, Aloke Journal of Medicinal Chemistry, 2014 , vol. 57, # 4 p. 1557 - 1572 |
~% 151978-66-4 |
Literature: Angewandte Chemie - International Edition, , vol. 37, # 3 p. 325 - 329 |
~% 151978-66-4 |
Literature: Angewandte Chemie - International Edition, , vol. 37, # 3 p. 325 - 329 |