19012-03-4

• 常用中文名：1-甲基吲哚-3-甲醛
• 常用英文名：1-Methyl-1H-indole-3-carbaldehyde
• CAS号：19012-03-4
• 分子式：C₁₀H₉NO
• 分子量：159.185
• 相关类别： 有机原料 醛类化合物
• 发布时间：2018-05-31 08:00:00
• 更新时间：2024-01-02 15:58:05
• 下载msds

名称

• 中文名: 1-甲基吲哚-3-甲醛
• 英文名: 1-methylindole-3-carbaldehyde
• 中文别名: 1-甲基吲哚-3-甲醇; 3-甲醛-1-甲基吲哚
• 英文别名: MFCD00014570; 3-Formyl-1-methylindole; 1H-Indole-3-carboxaldehyde,1-methyl; 1-Methyl-1H-indole-3-carbaldehyde; EINECS 242-750-3; Indole-3-carboxaldehyde, 1-methyl-; 3-formyl N-methyl indole; N-Methyl-3-indolecarboxaldehyde; N-methylindole-3-carboxaldehyde; 1H-Indole-3-carboxaldehyde, 1-methyl-; N-Methyl-3-formylindole; 1-methyl-1H-indol-3-carboxaldehyde; 1-Methyl-3-formylindole; 1-methyl-indole-3-carbaldehyde; 1-Methylindole-3-carboxaldehyde

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 318.7±15.0 °C at 760 mmHg
• 熔点: 70-72 °C(lit.)
• 分子式: C₁₀H₉NO
• 分子量: 159.185
• 闪点: 146.5±20.4 °C
• 精确质量: 159.068420
• PSA: 22.00000
• LogP: 1.96
• 外观性状: 无气味的淡黄色至橙色结晶粉末和块固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.585
• 储存条件:

  常温密闭避光，通风干燥惰性气体下

• 稳定性:

  常温常压下稳定

  避免的物料：空气 氧化物
• 分子结构:

  1、 摩尔折射率：48.15

  2、 摩尔体积（m³/mol）：143.6

  3、 等张比容（90.2K）：363.1

  4、 表面张力（dyne/cm）：40.8

  5、 极化率（10^-24cm³）：19.08

• 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:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积22

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:181

  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:1

• 更多:

  1. 性状：浅黄色至橙色或棕色结晶粉末

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：70-72 (lit.)

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 1-Methylindole-3-carboxaldehyde 97% Material Safety Data Sheet Synonym: CAS: 19012-03-4 Section 1 - Chemical Product MSDS Name:1-Methylindole-3-carboxaldehyde 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 19012-03-4 1-Methylindole-3-carboxaldehyde 97% 242-750-3 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. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes 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# 19012-03-4: 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: Light yellow to orange cryst. powder and chunks Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 70 - 72 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: soluble in acetone, diethyl ester Specific Gravity/Density: Molecular Formula: Molecular Weight: Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 19012-03-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methylindole-3-carboxaldehyde - 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 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 19012-03-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 19012-03-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 19012-03-4 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

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。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2933990090

合成路线

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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%