氘标记化合物制备
| 中文名 | 氰基硼氘化钠 |
|---|---|
| 英文名 | sodium,cyano(trideuterio)boranuide |
| 英文别名 |
MFCD00003517
Sodium cyanoborodeuteride |
| 描述 | 氰基硼氢化钠-d3是氘标记的氰基硼氯化钠[1]。 |
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| 相关类别 | |
| 体外研究 | 氢、碳和其他元素的稳定重同位素已被掺入药物分子中,主要作为药物开发过程中定量的示踪剂。头韵因其可能影响药物的药代动力学和代谢特征而受到关注[1]。 |
| 参考文献 |
| 熔点 | >242ºC (dec.)(lit.) |
|---|---|
| 分子式 | CBD3NNa |
| 分子量 | 65.86050 |
| 精确质量 | 66.04450 |
| PSA | 23.79000 |
| 外观性状 | 白色至淡黄色结晶粉末 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、摩尔折射率：无可用 2、 摩尔体积（cm3/mol）：无可用 3、 等张比容（90.2K）：无可用 4、 表面张力（dyne/cm）：无可用 5、 极化率：无可用 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积23.8 7.重原子数量:4 8.表面电荷:0 9.复杂度:34.5 10.同位素原子数量:3 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:2 |
| 更多 | 1. 性状：结晶 2. 密度（ g/mL,25/4 ℃ ）：无可用
3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：>242 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：溶于四氢呋喃。 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 15 23/24/25 32 45 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Contact with water liberates extremely flammable gases. Toxic by inhalation, in contact with skin and if swallowed. Contact with acids liberates very toxic gas. May cause cancer.Corrosive.Toxic.Highly flammable.Water-reactive.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Toxic in contact with skin. Ingestion: Poison by ingestion. Causes gastrointestinal tract burns. Inhalation: May cause irritation of the respiratory tract with burning pain in the nose and throat, coughing, wheezing, shortness of breath and pulmonary edema. Causes chemical burns to the respiratory tract. May cause abdominal pain, nausea, vomiting, and inflammation of the gums and mouth. Toxic if inhaled. Chronic: Not available. 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 immediately. Skin: Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Can burn in a fire, releasing toxic vapors. Extinguishing Media: Use dry chemical to fight fire. 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. Remove all sources of ignition. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Use only in a chemical fume hood. Storage: Keep away from heat, sparks, and flame. Store in a cool, dry place. Store in a tightly closed container. Keep under a nitrogen blanket. Water free area. 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. Exposure Limits CAS# 25895-62-9: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white to off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: >242 deg C dec 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: CBD3NNa Molecular Weight: 65.86 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: High temperatures, contact with water. Incompatibilities with Other Materials: Oxidizing agents, acids, moist air or water. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, oxides of boron. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 25895-62-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Sodium cyanoborodeuteride, 98 atom % D - 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: WATER-REACTIVE SOLID, TOXIC, N.O.S.* Hazard Class: 4.3 (6.1) UN Number: 3134 Packing Group: I IMO Shipping Name: WATER-REACTIVE SOLID, TOXIC, N.O.S. Hazard Class: 4.3 (6.1) UN Number: 3134 Packing Group: I RID/ADR Shipping Name: WATER-REACTIVE SOLID, TOXIC, N.O.S. Hazard Class: 4.3 (6.1) UN Number: 3134 Packing group: I Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 45 May cause cancer. R 15 Contact with water liberates extremely flammable gases. R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. R 32 Contact with acids liberates very toxic gas. Safety Phrases: S 7/8 Keep container tightly closed and dry. S 25 Avoid contact with eyes. S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 25895-62-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 25895-62-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 25895-62-9 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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毒理学数据: 有毒，易燃。遇酸能释放有毒气体。 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 符号 |
GHS02, GHS05, GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H228-H300 + H310 + H330-H314 |
| 警示性声明 | P210-P260-P264-P280-P284-P301 + P310 |
| 危害码 (欧洲) | F: Flammable;T+: Very toxic; |
| 风险声明 (欧洲) | R11 |
| 安全声明 (欧洲) | 16-26-36/37/39-45 25 28A 7 8 |
| 危险品运输编码 | UN 2926 4 |
| WGK德国 | 3 |
| 包装等级 | II |
| 危险类别 | 4.3 |