65039-08-9 (1-乙基-3-甲基溴化咪唑,1-Ethyl-3-methylimidazolium bromide)

CAS号:
65039-08-9
中文名称:
1-乙基-3-甲基溴化咪唑
英文名称:
1-Ethyl-3-methylimidazolium bromide
安全信息:
分子式:
C6H11BrN2
分子量:
191.068940401077

1-乙基-3-甲基溴化咪唑(65039-08-9)名称与标识符

名称

中文别名:
1-乙基-3-甲基溴化咪唑;1-乙基-3-甲基咪唑溴盐;1-乙基-3-甲基溴化咪唑鎓;1-Ethyl-3-methylimidazolium Bromide 1-乙基-3-甲基溴化咪唑鎓;1-乙基-3-甲基咪唑鎓溴化物;1-甲基-3-乙基咪唑溴盐;1-乙基-3-甲基溴化咪唑,溴化1-乙基-3-甲基咪唑;溴化1-乙基-3-甲基咪唑;1-乙基-3-甲基咪唑溴盐​;
英文别名:
1-Ethyl-3-methylimidazolium bromide;3-Ethyl-1-methyl-1H-imidazol-3-ium bromide;1-ethyl-3-methylimidazol-3-ium,bromide;1H-Imidazolium,1-ethyl-3-methyl-, bromide (9CI);1-Ethyl-3-methyl-1H-imidazolium bromide;1-Ethyl-3-methylmidazolium bromide;1-Methyl-3-ethylimidazolium bromide;3-Ethyl-1-methyl-3H-imidazol-1-iumbromide;3-Ethyl-1-methylimidazolium bromide;1-ethyl-3-methyl-1H-imidazol-3-ium bromide;XO254YE73I;EMIMBr;DSSTox_CID_29300;DSSTox_RID_83418;DSSTox_GSID_49343;C6H11N2.Br;KSC491C6R;GWQYPLXGJIXMMV-UHFFFAOYSA-M;1ethyl-3-methylimidazolium-bromide;1-ethyl-3-meth;AC1321;1-ethyl-3-methylimidazol-3-ium,bromide;;AMY23162;Z2050687912;CS-W015854;DTXSID2049343;1-ethyl-3-methyl-imidazol-3-ium bromide;1-(ethyl)-3-(methyl)imidazolium bromide;UNII-XO254YE73I;AKOS015901575;1-Ethyl-3-methylimidazolium bromide, >=97.0% (T);SCHEMBL193042;65039-08-9;AS-19131;EN300-208883;DTXCID9029300;1-ethyl-3-methylimidazol-3-ium;bromide;AKOS015832987;1-Ethyl-3-methylimidazolium bromide, dry, >=98.5% (HPLC/T);FT-0607749;C6H11BrN2;Tox21_202635;CAS-65039-08-9;A867757;1-Ethyl-3-methylimidazoliumbromide;Q-102653;Q27293925;1-Ethyl-3-methylimidazolium bromide, 98+%;1H-Imidazolium, 3-ethyl-1-methyl-, bromide (1:1);MFCD03427610;NCGC00260183-01;SY036848;3-ethyl-1-methyl-3H-imidazol-1-ium bromide;E0543;3-Ethyl-1-methyl-1H-imidazol-3-iumbromide;[EMIm]Br;

标识符

MDL:
MFCD03427610
InChIKey:
GWQYPLXGJIXMMV-UHFFFAOYSA-M
Inchi:
1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
SMILES:
[Br-].N1(C=C[N+](C)=C1)CC

1-乙基-3-甲基溴化咪唑(65039-08-9)物化性质

实验特性

  • LogP : -2.66350
  • PSA : 8.81000
  • 水溶性 : Soluble in water, dichloromethane, ethanol, acetonitrile. Insoluble in ethyl acetate, ether, and alkane.
  • 熔点 : 70-73°C
  • 闪点 : No data available
  • 颜色与性状 : 白色或者奶油色晶状体粉末。
  • PH值 : 7 (H2O, 20℃)
  • 溶解性 : 未确定。
  • 敏感性 : 对湿度敏感
  • 密度 : No data available

计算特性

  • 精确分子量 : 190.01100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 190.011
  • 重原子数量 : 9
  • 复杂度 : 72.9
  • 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 : 1
  • 拓扑分子极性表面积 : 8.8

1-乙基-3-甲基溴化咪唑(65039-08-9)国际标准相关数据

EINECS:
MFCD03427610

1-乙基-3-甲基溴化咪唑(65039-08-9)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%

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1-乙基-3-甲基溴化咪唑(65039-08-9)相关文献

1-乙基-3-甲基溴化咪唑(65039-08-9)参考资料

Reaxys RN:
4588996
Beilstein:
5162084
PubChem CID:

1-乙基-3-甲基溴化咪唑(65039-08-9) MSDS

基础信息

Name:1-Ethyl-3-Methylimidazolium Bromide Material Safety Data Sheet
Synonym:None Known
CAS:65039-08-9
Section 1 - Chemical Product ? MSDS Name:1-Ethyl-3-Methylimidazolium Bromide Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
65039-08-91-Ethyl-3-Methylimidazolium Bromideca. 100unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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 chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 65039-08-9: 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: Liquid
Color: Not available.
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: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: Not available.
Molecular Formula: C6H11BrN2
Molecular Weight: 191.07

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 65039-08-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Ethyl-3-Methylimidazolium Bromide - 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# 65039-08-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 65039-08-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 65039-08-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A