401788-98-5

• 常用中文名：1-丁基-3-甲基咪唑硫酸甲酯
• 常用英文名：1-butyl-3-methylimidazolium methylsulfate
• CAS号：401788-98-5
• 分子式：C₉H₁₈N₂O₄S
• 分子量：250.31500
• 相关类别： 化学试剂 有机试剂 离子液体
• 发布时间：2018-06-06 23:10:30
• 更新时间：2024-01-05 11:18:46
• 下载msds

名称

• 中文名: 1-丁基-3-甲基咪唑甲磺酸
• 英文名: 1-butyl-3-methylimidazol-3-ium,methyl sulfate
• 中文别名: 1-正丁基-3-甲基咪唑硫酸甲酯; 1-丁基-3-甲基咪唑硫酸甲酯; 1-丁基-3-甲基咪唑硫酸甲脂盐
• 英文别名: MFCD03095437; 1-butyl-3-methyl-3H-imidazolium methyl sulfate; [Emim][MeSO4]; [BMIM][MeSO4]; [C4C1im][MeSO4]; Basionics(R) LQ02; 1-Butyl-3-methylimidazolium methyl sulfate; [BMIM][MeOSO3]; 1-n-Butyl-3-methylimidazolium methyl sulfate

物化性质

• 密度: 1.21
• 熔点: -4°C(lit.)
• 分子式: C₉H₁₈N₂O₄S
• 分子量: 250.31500
• 精确质量: 250.09900
• PSA: 83.62000
• LogP: 1.28650
• 外观性状: liquid | yellow
• 折射率: n20/D 1.478
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物、碱

• 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:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积83.6

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:184

  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:2

• 更多:

  1. 性状：液体

  2. 密度（g/mL20 ºC）：1.21

  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（ºC3mmHg）：未确定

  7. 折射率：n20/D 1.478

  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,）：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：完全可拌和的

MSDS

Section 1: Product Identification Chemical Name:1-Butyl-3-methylimidazolium methanesulfonate, 98% [BMIM] [MeSO4] CAS Registry Number:401788-98-5 Formula:C9H18N2O4S EINECS Number:none Chemical Family:organic amine salt Synonym:3-Butyl-1-methyl-3H-imidazol-1-ium; methylsulfate Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound401788-98-5100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to eyes, skin and respiratory tract. Primary Routes of Exposure:Ingestion, eyes, inhalation, skin contact Eye Contact:Causes moderate to severe irritation of the eyes. Skin Contact:Causes moderate to severe irritation of the skin Causes irritation of the respiratory tract with burning pain in the nose and throat, coughing, and pulmonary Inhalation: edema. Ingestion:May be harmful or poisonous if swallowed. Severe irritant to the gastrointestinal system The methylsulfate fragment may act as a poisonous alkylating agent in the human body as does dimethyl Acute Health Affects: sulfate. Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on the long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus Special Fire Fighting Procedures: and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a cool, dry place in a tightly sealed container. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove. Ventilation:If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:yellow liquid Molecular Weight:250.32 Melting Point:no data Boiling Point:no data Vapor Pressure:not applicable Specific Gravity:no data Odor:none Solubility in Water:soluble SECTION 10: Stability and Reactivity Stability:hygroscopic Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:contact with air and moisture Incompatibility:strong oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to federal, state, and local regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Title compound not listed. Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS05
• 信号词: Danger
• 危害声明: H314
• 警示性声明: P280-P305 + P351 + P338-P310
• 个人防护装备: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): C
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): 26-36-45
• 危险品运输编码: UN 3265 8/PG 2
• WGK德国: 3
• 包装等级: II
• 海关编码: 2933290090

合成路线

4316-42-1 77-78-1 ~77% 401788-98-5

文献：Pereiro, Ana B.; Verdia, Pedro; Tojo, Emilia; Rodriguez, Ana Journal of Chemical and Engineering Data, 2007 , vol. 52, # 2 p. 377 - 380

616-47-7 625-22-9 ~% 401788-98-5

文献：Solvent Innovation GmbH Patent: EP1182196 A1, 2002 ; Location in patent: Page 11 ;

19803-43-1 79917-90-1 ~% 401788-98-5

文献：Itoh, Toshiyuki; Ouchi, Nozomi; Hayase, Shuichi; Nishimura, Yoshihito Chemistry Letters, 2003 , vol. 32, # 7 p. 654 - 655

77-78-1 79917-90-1 ~98% 401788-98-5

文献：MERCK PATENT GMBH Patent: WO2006/63654 A1, 2006 ; Location in patent: Page/Page column 19-20 ;

18165-71-4 79917-90-1 ~97% 401788-98-5

文献：MERCK PATENT GMBH Patent: WO2006/63654 A1, 2006 ; Location in patent: Page/Page column 29 ;

海关

海关编码	2933290090
中文概述	2933290090. 其他结构含非稠合咪唑环的化合物. 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	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%