40580-83-4

• 常用中文名：盐酸哈尔酚
• 常用英文名：HARMOL HYDROCHLORIDE
• CAS号：40580-83-4
• 分子式：C₁₂H₁₁ClN₂O
• 分子量：234.68200
• 发布时间：2018-02-14 08:00:00
• 更新时间：2023-01-17 19:44:07

名称

• 中文名: 盐酸哈尔酚
• 英文名: harmol hydrochloride
• 英文别名: Harmol hydrochloride monohydrate; EINECS 254-980-1; HARMOL HCL

物化性质

• 沸点: 552.7ºC at 760 mmHg
• 分子式: C₁₂H₁₁ClN₂O
• 分子量: 234.68200
• 闪点: 255ºC
• 精确质量: 234.05600
• PSA: 48.91000
• LogP: 3.53210
• 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： 61.16

  2、 摩尔体积（m³/mol）：143.9

  3、 等张比容（90.2K）：421.3

  4、 表面张力（dyne/cm）：73.4

  5、 极化率（10 ^-24cm ³）：24.24

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：无可用

  2、 氢键供体数量：3

  3、 氢键受体数量：3

  4、 可旋转化学键数量：0

  5、 拓扑分子极性表面积（TPSA）：41.1

  6、 重原子数量：16

  7、 表面电荷：0

  8、 复杂度：516

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：2

• 更多:

  1. 性状：无可用

  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）：无可用

  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：无可用

MSDS

Name: Harmol hydrochloride dihydrate Material Safety Data Sheet Synonym: Harmol hydrochloride dihydrate; 1-Methyl-9H-pyrido[3,4,b]indol-7-ol monohydrochloride dihydrate CAS: 40580-83-4 Section 1 - Chemical Product MSDS Name:Harmol hydrochloride dihydrate Material Safety Data Sheet Synonym:Harmol hydrochloride dihydrate; 1-Methyl-9H-pyrido[3,4,b]indol-7-ol monohydrochloride dihydrate Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 40580-83-4 Harmol hydrochloride dihydrate 98 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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 immediately. 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: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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: Antidote: None reported. 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 water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 40580-83-4: CAS# 149022-16-2: 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: 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: Crystalline powder Color: light yellow-green 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: N/A Explosion Limits, upper: N/A Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C12H10N2O.HCl.H2O Molecular Weight: 252.70 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 40580-83-4: UV1048000 CAS# 149022-16-2 unlisted. LD50/LC50: Not available. Not available. Carcinogenicity: Harmol hydrochloride anhydrous - Not listed by ACGIH, IARC, or NTP. Harmol 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 40580-83-4: No information available. CAS# 149022-16-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40580-83-4 is not listed on Canada's Ingredient Disclosure List. CAS# 149022-16-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40580-83-4 is not listed on the TSCA inventory. It is for research and development use only. CAS# 149022-16-2 is not on the TSCA Inventory because it is a hydrate. It is considered to be listed if the CAS number for the anhydrous form is on the inventory (40CFR720.3(u)(2)). SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：皮下 摄入剂量： 400毫克/千克 测试对象：啮齿动物-兔 毒性类型：急性 毒性作用： 1.食物摄入量（动物）变化 2.脉搏增加，血压不下降 2 。 试验方法：皮下 摄入剂量： 280毫克/千克 测试对象：啮齿动物-豚鼠 毒性类型：急性 毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值 3。 试验方法：皮下 摄入剂量： 180毫克/千克 测试对象：两栖动物-青蛙 毒性类型：急性 毒性作用： 1.神经和感觉-弛缓性麻痹（通常是神经肌肉阻滞） 2.共济失调 3.心肌梗死 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。 CHEMICAL IDENTIFICATION RTECS NUMBER : UV1048000 CHEMICAL NAME : 9H-Pyrido(3,4-b)indol-7-ol, 1-methyl-, hydrochloride CAS REGISTRY NUMBER : 40580-83-4 LAST UPDATED : 199012 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C12-H10-N2-O.Cl-H MOLECULAR WEIGHT : 234.70 WISWESSER LINE NOTATION : T B656 EN HMJ F1 KQ &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 4,33,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 140 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 4,33,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Behavioral - food intake (animal) Cardiac - pulse rate increase, without fall in BP Cardiac - pulse rate REFERENCE : QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 4,33,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 280 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 4,33,1931 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 180 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia Cardiac - cardiomyopathy including infarction REFERENCE : QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 4,33,1931

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2933990090

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%