6027-98-1

• 常用中文名：骆驼蓬灵盐酸盐二水合物
• 常用英文名：HARMALINE HYDROCHLORIDE DIHYDRATE
• CAS号：6027-98-1
• 分子式：C₁₃H₁₉ClN₂O₃
• 分子量：286.75500
• 相关类别： 生物化工 植物提取物
• 发布时间：2018-05-18 08:00:00
• 更新时间：2024-01-11 16:07:48
• 下载msds

名称

• 中文名: 盐酸骆驼蓬灵
• 英文名: harmaline hydrochloride dihydrate
• 中文别名: 骆驼蓬灵盐酸盐二水合物
• 英文别名: Harmaline hydrochloride; EINECS 253-734-0; 3,4-DIHYDRO-7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]-INDOLE HYDROCHLORIDE DIHYDRATE; HARMALOL METHYL ETHER HYDROCHLORIDE DIHYDRATE; 4,9-dihydro-7-methoxy-1-methyl-3H-Pyrido[3,4-b]indole hydrochloride hydrate; HARMALINE HCL DIHYDRATE(RG); MFCD00150052

物化性质

• 沸点: 426.4ºC at 760 mmHg
• 熔点: 232-240 °C
• 分子式: C₁₃H₁₉ClN₂O₃
• 分子量: 286.75500
• 闪点: 211.7ºC
• 精确质量: 286.10800
• PSA: 55.84000
• LogP: 2.65060
• 储存条件:

  -20℃ 避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:5

  4.可旋转化学键数量:1

  5.互变异构体数量:5

  6.拓扑分子极性表面积35.6

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:504

  10.同位素原子数量:0

  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:4

• 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）：232-240

  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

Name: Harmaline hydrochloride dihydrate Material Safety Data Sheet Synonym: None listed CAS: 6027-98-1 Section 1 - Chemical Product MSDS Name:Harmaline hydrochloride dihydrate Material Safety Data Sheet Synonym:None listed Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6027-98-1 Harmaline hydrochloride dihydrate 99 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Exposure to high concentrations may cause central nervous system depression. 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. 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: 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use carbon dioxide, dry chemical powder or water spray. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. 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# 6027-98-1: 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: Powder Color: yellow Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 239.00 - 240.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Moderately Soluble. Specific Gravity/Density: Not available. Molecular Formula: C13H14N2O.HCl.2H2O Molecular Weight: 286.76 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6027-98-1: MG8750000 LD50/LC50: Not available. Carcinogenicity: Harmaline hydrochloride dihydrate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. WGK (Water Danger/Protection) CAS# 6027-98-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6027-98-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6027-98-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性： 1.小鼠皮下最低毒剂LDLo：120mg/kg，周围神经和感觉-弛缓性麻痹不麻醉（通常是神经肌肉阻滞）行为-惊厥或癫痫阈值的影响肺部，胸部或呼吸-呼吸困难。 2.哺乳动物猫皮下最低毒剂LDLo：100mg/kg，周围神经和感觉-弛缓性麻痹不麻醉（通常是神经肌肉阻滞）行为-惊厥或癫痫阈值的影响肺部，胸部或呼吸-呼吸困难。 3.小兔皮下最低毒剂LDLo：100mg/kg，周围神经和感觉-弛缓性麻痹不麻醉（通常是神经肌肉阻滞）行为-惊厥或癫痫阈值的影响肺部，胸部或呼吸-呼吸困难。 4.豚鼠皮下最低毒剂LDLo：100mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。 5.两栖类动物—青蛙皮下最低毒剂LDLo：250mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境. CHEMICAL IDENTIFICATION RTECS NUMBER : MG8750000 CHEMICAL NAME : Harmaline, hydrochloride, dihydrate CAS REGISTRY NUMBER : 6027-98-1 LAST UPDATED : 199106 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C13-H14-N2-O.Cl-H.2H2-O MOLECULAR WEIGHT : 286.79 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TRSEAO Transactions of the Royal Society of Edinburgh. (Edinburgh, Scotland) V.1-70, 1783-1979. Volume(issue)/page/year: 47,245,1909

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: 1544
• WGK德国: 3
• RTECS号: MG8750000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933990090

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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
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%