401788-98-5 (1-丁基-3-甲基咪唑硫酸甲酯,1-Butyl-3-methylimidazolium methyl sulfate)

CAS号:
401788-98-5
中文名称:
1-丁基-3-甲基咪唑硫酸甲酯
英文名称:
1-Butyl-3-methylimidazolium methyl sulfate
安全信息:
分子式:
C9H18N2O4S
分子量:
250.315221309662

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)名称与标识符

名称

中文别名:
1-丁基-3-甲基咪唑硫酸甲酯;1-丁基-3-甲基咪唑甲磺酸;1-正丁基-3-甲基咪唑硫酸甲酯;
英文别名:
1-n-Butyl-3-methylimidazolium methylsulfate;1-Butyl-3-methylimidazolium Methyl Sulfate;1-butyl-3-methylimidazol-3-ium,methyl sulfate;[BMIM][MeOSO3];[BMIM][MeSO4];[C4C1im][MeSO4];[Emim][MeSO4];1-butyl-3-methyl-3H-imidazolium methyl sulfate;Basionics(R) LQ02;BMIMMeSO4;Basionics® LQ 02;1-Butyl-3-methylimidazolium methylsulfate;ECOENG 411;3-Butyl-1-methyl-1H-imidazol-3-ium methyl sulfate;MEMNKNZDROKJHP-UHFFFAOYSA-M;NSC746786;1-butyl-3-methylimidazolium methylsul-fate;B5527;1-butyl-3-methyl-1H-imidazol-3-ium m;D89140;LQ 02;NSC-746786;1-butyl-3-methylimidazol-3-ium;methyl sulfate;DTXSID10477461;SCHEMBL305739;AKOS015912618;1-Butyl-3-methylimidazolium methanesulfonate [BMIM] [MeSO4];BS-44011;1-butyl-3-methyl-1H-imidazol-3-ium methyl sulfate;1-Butyl-3-methylimidazolium methyl sulphate;MFCD03095437;1-Butyl-3-methylimidazolium methyl sulfate, >=95%;401788-98-5;Basionics;1-Butyl-3-methylimidazolium methyl sulfate, >=97.0% (HPLC);NSC 746786;1-BUTYL-3-METHYLIMIDAZOLIUM METHYL SULFATE(1-);C4mim methyl sulfate(1-);

标识符

MDL:
MFCD03095437
InChIKey:
MEMNKNZDROKJHP-UHFFFAOYSA-M
Inchi:
1S/C8H15N2.CH4O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
SMILES:
S(=O)(=O)([O-])OC.N1(C=C[N+](C)=C1)CCCC

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)物化性质

实验特性

  • LogP : 1.28650
  • PSA : 83.62000
  • 折射率 : n20/D 1.478
  • 熔点 : -4°C(lit.)
  • 颜色与性状 : 液体
  • 稳定性 : hygroscopic
  • 溶解性 : 完全可拌和的
  • 敏感性 : 易吸潮
  • 密度 : 1.21 g/mL at 20 °C

计算特性

  • 精确分子量 : 250.09900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 250.09872823g/mol
  • 重原子数量 : 16
  • 复杂度 : 184
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 83.6

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)安全信息

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)国际标准相关数据

EINECS:
24888081

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

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%

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)推荐厂家 更多厂家(26)

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)相关文献

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5)参考资料

Reaxys RN:
9520931
Beilstein:
MFCD03095437
PubChem CID:

1-丁基-3-甲基咪唑硫酸甲酯(401788-98-5) MSDS

基础信息


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
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       401788-98-5       100%       no data       no 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 and       If 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