Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate structure
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Common Name | Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate | ||
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CAS Number | 39945-51-2 | Molecular Weight | 249.306 | |
Density | 1.2±0.1 g/cm3 | Boiling Point | 396.4±25.0 °C at 760 mmHg | |
Molecular Formula | C14H19NO3 | Melting Point | 59-60℃ | |
MSDS | N/A | Flash Point | 193.5±23.2 °C |
Name | Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate |
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Synonym | More Synonyms |
Density | 1.2±0.1 g/cm3 |
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Boiling Point | 396.4±25.0 °C at 760 mmHg |
Melting Point | 59-60℃ |
Molecular Formula | C14H19NO3 |
Molecular Weight | 249.306 |
Flash Point | 193.5±23.2 °C |
Exact Mass | 249.136490 |
PSA | 49.77000 |
LogP | 1.46 |
Vapour Pressure | 0.0±1.0 mmHg at 25°C |
Index of Refraction | 1.550 |
Storage condition | 2-8°C |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 39945-51-2: 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: Oil Color: pale yellow Odor: Not available. 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: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C14H19NO3 Molecular Weight: 249.31 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides, halogenated agents, halogens. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39945-51-2 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 39945-51-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39945-51-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39945-51-2 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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Risk Phrases | R36/37/38 |
Safety Phrases | 26-36/37/39 |
HS Code | 2933399090 |
~65% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Aquila, Brian M.; Bannister, Thomas D.; Cuny, Gregory C.; Hauske, James R.; Heffernan, Michele L.R.; Hoemann, Michael Z.; Kessler, Donald W.; Shao, Liming; Wu, Xinhe; Xie, Roger L. Patent: US2002/177721 A1, 2002 ; |
~86% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Fushiya, Shinji; Kanazawa, Toshiyuki; Nozoe, Shigeo Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 11 p. 2089 - 2094 |
~% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Merck and Co., Inc. Patent: US6329380 B1, 2001 ; US 6329380 B1 |
~% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ; |
~% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ; |
~94% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Dou, Dengfeng; Tiew, Kok-Chuan; He, Guijia; Mandadapu, Sivakoteswara Rao; Aravapalli, Sridhar; Alliston, Kevin R.; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C. Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 20 p. 5975 - 5983 |
~92% Benzyl 3-(hydro... CAS#:39945-51-2 |
Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ; Location in patent: Page/Page column 44 ; |
Precursor 8 | |
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DownStream 3 | |
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% |
1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester |
1-Benzyloxycarbonyl-3-piperidinemethanol |
N-Cbz-(3-hydroxymethyl)piperidine |
Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate |
benzyl 3-(hydroxymethyl)piperidine-1-carboxylate |
MFCD03407298 |