Name | 2-(1-Benzylpiperidin-4-yl)acetonitrile |
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Synonyms |
1-(phenylmethyl)-4-piperidineacetonitrile
(1-benzylpiperidin-4-yl)acetonitrile 1-Benzylpiperidine-4-acetonitrile 1-(2-cyanoethyl)-4-benzylpiperidine 2-(1-Benzyl-4-piperidyl)acetonitrile |
Density | 1.036g/cm3 |
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Boiling Point | 348.9ºC at 760 mmHg |
Molecular Formula | C14H18N2 |
Molecular Weight | 214.30600 |
Flash Point | 147.4ºC |
Exact Mass | 214.14700 |
PSA | 27.03000 |
LogP | 2.75018 |
Index of Refraction | 1.541 |
Synonym:None known 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.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 78056-67-4: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear slight brown Odor: benzene-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 109 deg C (> 228.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.013 Molecular Formula: C14H18N2 Molecular Weight: 214.31 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, strong oxidants. Incompatibilities with Other Materials: Strong bases, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 78056-67-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-4-Piperidineacetonitrile - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 78056-67-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 78056-67-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 78056-67-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
HS Code | 2933399090 |
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~84% 78056-67-4 |
Literature: PIRAMAL LIFE SCIENCES LIMITED; SIVAKUMAR, Meenakshi; JOSHI, Kalpana Sanjay; AWARE, Valmik Sopan; SARDE, Ankush Gangaram; BAGUL, Sandeep Mukunda; MANOHAR, Sonal Mohan Patent: WO2011/104680 A1, 2011 ; Location in patent: Page/Page column 78 ; WO 2011/104680 A1 |
~% 78056-67-4 |
Literature: Shao, Dong; Zou, Chunyan; Luo, Cheng; Tang, Xican; Li, Yuanchao Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 18 p. 4639 - 4642 |
~84% 78056-67-4 |
Literature: Asadipour, Ali; Alipour, Masoumeh; Jafari, Mona; Khoobi, Mehdi; Emami, Saeed; Nadri, Hamid; Sakhteman, Amirhossein; Moradi, Alireza; Sheibani, Vahid; Homayouni Moghadam, Farshad; Shafiee, Abbas; Foroumadi, Alireza European Journal of Medicinal Chemistry, 2013 , vol. 70, p. 623 - 630 |
~% 78056-67-4 |
Literature: Shao, Dong; Zou, Chunyan; Luo, Cheng; Tang, Xican; Li, Yuanchao Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 18 p. 4639 - 4642 |
~% 78056-67-4 |
Literature: Shao, Dong; Zou, Chunyan; Luo, Cheng; Tang, Xican; Li, Yuanchao Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 18 p. 4639 - 4642 |
~% 78056-67-4 |
Literature: PIRAMAL LIFE SCIENCES LIMITED; SIVAKUMAR, Meenakshi; JOSHI, Kalpana Sanjay; AWARE, Valmik Sopan; SARDE, Ankush Gangaram; BAGUL, Sandeep Mukunda; MANOHAR, Sonal Mohan Patent: WO2011/104680 A1, 2011 ; WO 2011/104680 A1 |
~% 78056-67-4 |
Literature: PIRAMAL LIFE SCIENCES LIMITED; SIVAKUMAR, Meenakshi; JOSHI, Kalpana Sanjay; AWARE, Valmik Sopan; SARDE, Ankush Gangaram; BAGUL, Sandeep Mukunda; MANOHAR, Sonal Mohan Patent: WO2011/104680 A1, 2011 ; WO 2011/104680 A1 |
Precursor 7 | |
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DownStream 5 | |
HS Code | 2933399090 |
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Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |