5786-96-9

• 常用中文名：盐酸士的宁
• 常用英文名：brucine hydrochloride
• CAS号：5786-96-9
• 分子式：C₂₃H₂₇ClN₂O₄
• 分子量：430.92400
• 相关类别： 原料药 神经系统用药 中枢兴奋药
• 发布时间：2018-03-12 08:00:00
• 更新时间：2024-01-02 17:01:28

名称

• 中文名: 盐酸士的宁
• 英文名: brucine hydrochloride
• 中文别名: 番木鳖碱盐酸盐
• 英文别名: 2,3-dimethoxy-strychnidin-10-one,hydrochloride; brucine,hydrochloride; 2,3-dimethoxy-strychnidin-10-onmonohydrochloride; 2,3-dimethoxy-strychnidin-10-one,monohydrochloride; brucine chloride; 2-CARBAMIMIDOYL-2-(4-METHOXYPHENYL)DIAZENYL-ACETAMIDE; Dimethoxy strychnine hydrochloride; MFCD00060269; BRUCINE HYDROCLORIDE; Brucin,Hydrochlorid

物化性质

• 沸点: 633.7ºC at 760mmHg
• 分子式: C₂₃H₂₇ClN₂O₄
• 分子量: 430.92400
• 闪点: 337.1ºC
• 精确质量: 430.16600
• PSA: 51.24000
• LogP: 2.91460
• 折射率: 1.633
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定，有剧毒

• 分子结构:

  1、 摩尔折射率：101.25

  2、 摩尔体积（m³/mol）：751.2

  3、 等张比容（90.2K）：751.2

  4、 表面张力（dyne/cm）：67.4

  5、 极化率（10 ^-24cm ³）：40.13

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：1

  3、 氢键受体数量：5

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：51.2

  7、 重原子数量：30

  8、 表面电荷：0

  9、 复杂度：785

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：6

  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：未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name Brucine Hydrochloride Portland OR SynonymNot available. Chemical FormulaC23H26N2O4•HCl•H2O CAS Number5786-96-9 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Brucine Hydrochloride5786-96-9--------- Not available.Not available. Section III. Hazards Identification Acute Health EffectsToxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of 15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively. Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing. If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If Inhalation breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible, show the chemical label. Treat symptomatically and supportively. Section V.Fire and Explosion Data Not available. FlammabilityMay be combustible at high temperature.Auto-Ignition Flash PointsFlammable Limits Not available.Not available. Combustion Products These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds. WARNING: Highly toxic HCl gas is produced during combustion. Fire Hazards No specific information is available regarding the flammability of this compound in the presence of various materials. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. No additional information is available regarding the risks of explosion. Fire Fighting Media SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Continued on Next Page Brucine Hydrochloride Section VI.Accidental Release Measures Spill CleanupToxic material. InstructionsIn case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage TOXIC. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the Handling and Storage container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. Information Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure Limits Not available. Section IX. Physical and Chemical Properties Physical state @ 20°CSolid.Solubility Soluble in water or alcohol. Not available. Specific Gravity Molecular WeightPartition Coefficient 430.93Not available. Boiling PointVapor Pressure Not available.Not available. Melting PointNot available.Vapor DensityNot available. Refractive IndexNot available.VolatilityNot available. Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Eye contact. Ingestion. Inhalation. Skin contact. Routes of Exposure Toxicity DataNot available. CARCINOGENIC EFFECTS : Not available. Chronic Toxic Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsToxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page Brucine Hydrochloride Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with Waste Disposal a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state, and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationDOT CLASS 6.1: Toxic material. PIN Number Proper Shipping Name Alkaloid salts, solid, n.o.s. Packing Group (PG)I DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsR23/24/25- Toxic by inhalation, in contact with skin and if swallowed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 不易燃; 燃烧产生有毒氧化氮, 氯化氢气体

安全

• 危害码 (欧洲): Xi,Xn
• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
• 安全声明 (欧洲): S26-S37/39
• WGK德国: 3

合成路线

357-57-3 ~% 5786-96-9

文献：Chemistry - A European Journal, , vol. 15, # 28 p. 6848 - 6862