Name | 3-Hydroxyquinuclidine-3-carbonitrile |
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Synonyms |
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile
1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-hydroxy- 3-Hydroxyquinuclidine-3-carbonitrile |
Density | 1.2±0.1 g/cm3 |
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Boiling Point | 308.0±37.0 °C at 760 mmHg |
Melting Point | 156ºC |
Molecular Formula | C8H12N2O |
Molecular Weight | 152.194 |
Flash Point | 140.1±26.5 °C |
Exact Mass | 152.094955 |
PSA | 47.26000 |
LogP | -0.30 |
Vapour Pressure | 0.0±1.5 mmHg at 25°C |
Index of Refraction | 1.572 |
Synonym: 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# 6238-30-8: 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: 161 - 164 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: C8H12N2O Molecular Weight: 152 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6238-30-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Hydroxyquinuclidine-3-carbonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 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# 6238-30-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6238-30-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6238-30-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xn:Harmful; |
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Risk Phrases | R20/21/22 |
Safety Phrases | S36/37 |
HS Code | 2933990090 |
~97% 6238-30-8 |
Literature: Rutgerswerke AG Patent: US4925942 A1, 1990 ; |
~% 6238-30-8 |
Literature: US2007/14751 A1, ; Page/Page column 9 ; US 20070014751 A1 |
~96% 6238-30-8 |
Literature: Swain; Baker; Kneen; Herbert; Moseley; Saunders; Seward; Stevenson; Beer; Stanton; Watling; Ball Journal of Medicinal Chemistry, 1992 , vol. 35, # 6 p. 1019 - 1031 |
~% 6238-30-8 |
Literature: WO2008/16340 A1, ; Page/Page column 25 ; |
~96% 6238-30-8 |
Literature: Trigo, G. G.; Martinez, M.; Galvez, E.; Cabezas, R. Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 1507 - 1511 |
Precursor 5 | |
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DownStream 2 | |
HS Code | 2933990090 |
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Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |