(S)-TERT-BUTYL (1-CYANO-3-PHENYLPROPAN-2-YL)CARBAMATE structure
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Common Name | (S)-TERT-BUTYL (1-CYANO-3-PHENYLPROPAN-2-YL)CARBAMATE | ||
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CAS Number | 172695-25-9 | Molecular Weight | 260.33100 | |
Density | 1.067g/cm3 | Boiling Point | 432.2ºC at 760mmHg | |
Molecular Formula | C15H20N2O2 | Melting Point | N/A | |
MSDS | N/A | Flash Point | 215.2ºC |
Name | (S)-N-BOC-2-Amino-3-phenylpropyl cyanide |
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Synonym | More Synonyms |
Density | 1.067g/cm3 |
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Boiling Point | 432.2ºC at 760mmHg |
Molecular Formula | C15H20N2O2 |
Molecular Weight | 260.33100 |
Flash Point | 215.2ºC |
Exact Mass | 260.15200 |
PSA | 62.12000 |
LogP | 3.42698 |
Vapour Pressure | 1.13E-07mmHg at 25°C |
Index of Refraction | 1.514 |
Synonym: (S)-N-tert-Butoxycarbonyl-2-amino-3-phenylpropyl cyanide SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin.
Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 172695-25-9: 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 Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 120 - 125 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >250 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C15H20N2O2 Molecular Weight: 260.34 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, carbon dioxide. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 172695-25-9 unlisted. LD50/LC50: Not available. Carcinogenicity: (S)-N-BOC-2-Amino-3-phenylpropyl cyanide - 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. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 172695-25-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 172695-25-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 172695-25-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 10/08/2004 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
~76% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: WO2010/86366 A1, ; Page/Page column 40 ; WO 2010/086366 A1 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Organic Preparations and Procedures International, , vol. 26, # 5 p. 599 - 602 |
~80% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Tetrahedron Letters, , vol. 40, # 13 p. 2629 - 2632 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Tetrahedron Letters, , vol. 40, # 13 p. 2629 - 2632 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Bulletin de la Societe Chimique de France, , vol. 134, # 7 p. 713 - 718 |
~82% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Tetrahedron, , vol. 51, # 45 p. 12337 - 12350 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Bulletin de la Societe Chimique de France, , vol. 134, # 7 p. 713 - 718 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Tetrahedron Letters, , vol. 52, # 51 p. 6968 - 6970 |
~% (S)-TERT-BUTYL ... CAS#:172695-25-9 |
Literature: Tetrahedron Letters, , vol. 52, # 51 p. 6968 - 6970 |
Precursor 9 | |
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DownStream 2 | |
HS Code | 2926909090 |
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Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
(S)-tert-Butyl (1-cyano-3-phenylpropan-2-yl)carbamate |
MFCD06658950 |
tert-butyl N-[(2S)-1-cyano-3-phenylpropan-2-yl]carbamate |