10241-97-1

• 常用中文名：5-甲基吲哚-2-甲酸
• 常用英文名：5-Methyl-1H-indole-2-carboxylic acid
• CAS号：10241-97-1
• 分子式：C₁₀H₉NO₂
• 分子量：175.184
• 发布时间：2018-09-14 01:22:02
• 更新时间：2024-01-08 14:07:01
• 下载msds

名称

• 中文名: 5-甲基吲哚-2-甲酸
• 英文名: 5-methylindole-2-carboxylic acid
• 中文别名: 5-甲基吲哚-2-羧酸
• 英文别名: 5-Methyl-1H-indole-2-carboxylic acid; MFCD00047166; 1H-Indole-2-carboxylic acid, 5-methyl-

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 421.2±25.0 °C at 760 mmHg
• 熔点: 236-238°C (dec.)
• 分子式: C₁₀H₉NO₂
• 分子量: 175.184
• 闪点: 208.5±23.2 °C
• 精确质量: 175.063324
• PSA: 53.09000
• LogP: 2.77
• 外观性状: 淡棕色粉末
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.696
• 储存条件:

  密封于阴凉干燥处。

• 稳定性:

  遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：50.28

  2、 摩尔体积（cm³/mol）：130.6

  3、 等张比容（90.2K）：370.4

  4、 表面张力（dyne/cm）：64.6

  5、 极化率（10^-24cm³）：19.93

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:7

  6.拓扑分子极性表面积53.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:217

  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：奶油色-浅棕色晶体状粉末

  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）：236-238

  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：不溶于水

MSDS

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name5-METHYLINDOLE-2-CARBOXYLIC AC - 250MG ID 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 5-METHYLINDOLE-2-CARBOXYLIC ACID 10241-97-1 NoneNone FormulaC10H9NO2 Molecular Weight 175,1900 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA ALDRICHwww.molbase.com Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear protective equipment. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range234,000. - 235,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY ALDRICHwww.molbase.com Stable: Stable. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information ROUTE OF EXPOSURE Multiple Routes: May cause irritation. May be harmful by inhalation, ingestion, or skin absorption. CONDITIONS AGGRAVATED BY EXPOSURE The toxicological properties have not been thoroughly investigated. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. ALDRICHwww.molbase.com Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com 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

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 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

29289-13-2 127-17-3 ~% 10241-97-1

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 24 p. 4385 - 4388

91462-34-9 ~% 10241-97-1

文献：Justus Liebigs Annalen der Chemie, , vol. 239, p. 227

上下游产品

上游产品  3
29289-13-2 127-17-3 91462-34-9
下游产品  3
614-96-0 883526-76-9 95538-31-1

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%