930-62-1 (2,4-二甲基咪唑,2,4-Dimethylimidazole)

CAS号:
930-62-1
中文名称:
2,4-二甲基咪唑
英文名称:
2,4-Dimethylimidazole
分子式:
C5H8N2
分子量:
96.1304206848145

2,4-二甲基咪唑(930-62-1)名称与标识符

名称

中文别名:
2,4-二甲基咪唑;2,4-二甲基-1H-咪唑;2,4-二甲基咪唑 ,AR;二甲基咪唑;
英文别名:
2,4-Dimethylimidazole;1H-Imidazole,2,4-dimethyl;2,4-dimethyl;2,4-Dimethyl-1(3)H-imidazol;2,4-dimethyl-1(3)H-imidazole;2,4-dimethyl-1H-imidazole;2,4-Dimethylimidazol;2,4-dimethyl-imidazole;2,5-Dimethyl-1H-imidazole;2-methyl-4-methylimidazole;1H-Imidazole,2,4-dimethyl- (9CI);Imidazole, 2,4(or 2,5)-dimethyl- (6CI,7CI);Imidazole,2,4-dimethyl- (8CI);2,5-Dimethylimidazole;NSC 13192;1H-Imidazole, 2,4-dimethyl- (9CI);2,5-Dimethyl-1H-imidazole (ACI);Imidazole, 2,4(or 2,5)-dimethyl- (6CI, 7CI);Imidazole, 2,4-dimethyl- (8CI);W-100258;AKOS015905574;CS-W013729;DTXSID40239236;NSC13192;FT-0610177;MFCD00022365;EINECS 213-221-4;1H-Imidazole,4-dimethyl-;EN300-25771;2,4-dimethyl imidazole;NSC-13192;Imidazole,4-dimethyl-;AC-907/25014081;1H-Imidazole, 2,4-dimethyl-;AKOS000121130;930-62-1;PS-9343;2,4 dimethyl imidazole;2,5-dimethyl imidazole;NS00020241;A844433;Z217301646;Imidazole, 2,4-dimethyl-;InChI=1/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7;T0MIX7SJ2E;UNII-T0MIX7SJ2E;AM20120338;2,4-Dimethyl-1H-imidazole #;2,4-dimethyl-3H-imidazole;ALBB-028805;DB-013975;DTXCID60161727;STL373495;BBL027875;

标识符

MDL:
MFCD00022365
InChIKey:
LLPKQRMDOFYSGZ-UHFFFAOYSA-N
Inchi:
1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)
SMILES:
N1=C(C)NC(C)=C1
BRN:
1639

2,4-二甲基咪唑(930-62-1)物化性质

实验特性

  • LogP : 1.02650
  • PSA : 28.68000
  • 折射率 : 1.5000 (estimate)
  • 水溶性 : Soluble in water.
  • 沸点 : 266 ºC (733 mmHg)
  • 熔点 : 85-87 ºC
  • 闪点 : 266°C/733mm
  • 颜色与性状 : 白色结晶
  • 溶解性 : 未确定
  • 酸度系数(pKa) : 8.36(at 25℃)
  • 密度 : 0.9678 (rough estimate)

计算特性

  • 精确分子量 : 96.06870
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 96.069
  • 重原子数量 : 7
  • 复杂度 : 63.1
  • 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
  • 疏水参数计算参考值(XlogP) : 0.9
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 28.7A^2

2,4-二甲基咪唑(930-62-1)国际标准相关数据

EINECS:
213-221-4

2,4-二甲基咪唑(930-62-1)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%

2,4-二甲基咪唑(930-62-1)推荐厂家 更多厂家(79)

2,4-二甲基咪唑(930-62-1)合成路线

合成路线:1 步
参考文献:
New process for synthesis of imidazole derivatives
Eloy, F.; Deryckere, A.; Maffrand, J. P., European Journal of Medicinal Chemistry, 1974, 9(6), 602-6
合成路线:1 步
反应条件:
参考文献:
Reductions by metal alkoxyaluminum hydrides. Part II. Carboxylic acids and derivatives, nitrogen compounds, and sulfur compounds
Malek, Jaroslav, Organic Reactions (Hoboken, 1988, 36,
合成路线:1 步
参考文献:
Reaction of nitrosonium fluoborate with olefins in nitrile media. Two-step synthesis of imidazoles from olefins
Scheinbaum, Monte L.; Dines, Martin B., Tetrahedron Letters, 1971, (24), 2205-8
合成路线:1 步
参考文献:
Synthesis of imidazoles from alkenes
Casey, Michael; Moody, Christopher J.; Rees, Charles W., Journal of the Chemical Society, 1984, (8), 1933-41
合成路线:1 步
反应条件:
参考文献:
A new synthesis of imidazoles
Casey, Michael; Moody, Christopher J.; Rees, Charles W., Journal of the Chemical Society, 1982, (13), 714-15
合成路线:1 步
反应条件:
参考文献:
Catalytic synthesis of C-alkylimidazoles in the presence of platinum/alumina catalysts
Gitis, K. M.; Neumoeva, G. E.; Raevskaya, N. I.; Arutyunyants, G. A.; Isagulyants, G. V., Izvestiya Akademi Nauk, 1992, (4), 932-40
合成路线:1 步
反应条件:
参考文献:
Deprotection of N-benzylbenzimidazoles and N-benzylimidazoles with triethylsilane and Pd/C
Graham, Thomas H., Tetrahedron Letters, 2015, 56(21), 2688-2690
合成路线:1 步
参考文献:
Product class 3: imidazoles
Grimmett, M. R., Science of Synthesis, 2002, 12, 325-528
合成路线:1 步
反应条件:
参考文献:
Preparation method of neutron shielding material based on metal boron-imidazole framework
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Chemoselective and living/controlled polymerization of polar divinyl monomers by N-heterocyclic olefin based classical and frustrated Lewis pairs
Zhao, Wuchao; Wang, Qianyi; He, Jianghua; Zhang, Yuetao, Polymer Chemistry, 2019, 10(31), 4328-4335
合成路线:1 步
反应条件:
参考文献:
Process for preparation of dialkyl imidazole
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis of some alkyl- and arylimidazoles
Watanabe, T.; Nishiyama, J.; Hirate, R.; Uehara, K.; Inoue, M.; et al, Journal of Heterocyclic Chemistry, 1983, 20(5), 1277-81
合成路线:1 步
反应条件:
参考文献:
Reactions of halomethanes in the vapor phase. Part 5. The reactions of imidazolines, anils, and 1-methylimidazole with chloroform at 550°C, and a comparison with their liquid-phase reactions with trichloroacetate ion or hexachloroacetone and base
Busby, Reginald E.; Khan, Mohammad A.; Khan, Mohammad R.; Parrick, John; Shaw, C. J. Granville, Journal of the Chemical Society, 1980, (7), 1431-5
合成路线:1 步
参考文献:
Manufacture of stable 2-ethyl-4-methylimidazole compositions
, Japan, , ,
合成路线:1 步
参考文献:
Method for the preparation of imidazoles by dehydrogenation of imidazolines
, United States, , ,
合成路线:1 步
参考文献:
Preparation of 4-methylimidazoles from methylglyoxal, aldehydes, and ammonia
, Japan, , ,
合成路线:1 步
参考文献:
Imidazoles
, Japan, , ,
合成路线:1 步
参考文献:
An approach to the cyclopeptide alkaloids (phencyclopeptines) via heterocyclic diamide/dipeptide equivalents. Preparation and N-alkylation studies of 2,4(5)-disubstituted imidazoles
Lipshutz, Bruce H.; Morey, Matthew C., Journal of Organic Chemistry, 1983, 48(21), 3745-50
合成路线:1 步
参考文献:
4-Methylimidazoles
, European Patent Organization, , ,
合成路线:1 步
参考文献:
Imidazoles by reaction of acetalated α-dicarbonyl compounds with ammonia and/or ammonium salts and aldehydes
, Federal Republic of Germany, , ,

2,4-二甲基咪唑(930-62-1)相关文献

2,4-二甲基咪唑(930-62-1)参考资料

Beilstein:
213-221-4
PubChem CID:

2,4-二甲基咪唑(930-62-1) MSDS

基础信息

Name:2 4-Dimethylimidazole Tech. 90% Material Safety Data Sheet
Synonym:None Known
CAS:930-62-1
Section 1 - Chemical Product ? MSDS Name:2 4-Dimethylimidazole Tech. 90% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
930-62-12,4-Dimethylimidazole, Tech.90213-221-4
Hazard Symbols: C
Risk Phrases: 22 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 930-62-1: 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: Chunks
Color: yellow to orange
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 266 deg C @733 mmHg
Freezing/Melting Point: 85 - 87 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:
Specific Gravity/Density:
Molecular Formula: C5H8N2
Molecular Weight: 96.13

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 930-62-1: NI4839712 LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dimethylimidazole, Tech. - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3263
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 930-62-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 930-62-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 930-62-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A