2-Methylimidazole 2-甲基咪唑

CAS 693-98-1 MFCD00005190

化学结构图

693-98-1
SMILES: Cc1ncc[nH]1

化学属性

Mol. FormulaC4H6N2
Mol. Weight82.10
Boiling Point267°C at 760 mmHg
Melting Point142-143°C
Flash Point155°C
TSCAYes
Vapor Pressure<;1 mmHg ( 0 °C)
Density1.062
Stability对空气敏感
Appearance 针状结晶体。熔点为136℃，沸点267℃。溶于水和醇，难溶于冷苯。
Solubility溶于水、乙醇、微溶于冷苯。

别名和识别编码

Chemical Name2-Methylimidazole
Synonym 2-Methylimidazole {LY} 2-Methylimidazole {} {LY} 2-Methylimidazole {} {} {LY} 2-Methylimidazole {} {} {} {LY} 2-Methylimidazole {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylimi
CAS Number693-98-1
EC Number211-765-7
Beilstein Registry Number23,65
MDL NumberMFCD00005190
PubChem Substance ID12749
Chemical Name Translation2-甲基咪唑
Reaxys-RN1368
Wiswesser Line NotationT5M CNJ B1
LabNetwork Molecule IDLN00001148
InChIInChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
Canonical SMILESCC1=NC=CN1
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分类

  • {SNA} Alternative Energy, Building Blocks, C3 to C8, Chemical Synthesis, Enabling Products, Greener Alternative Products, Heterocyclic Building Blocks, Imidazoles, Material Sciences, Materials for Hydrogen Storage, Metal Organic Frameworks (MOFs), Organic Linker Molecules, Physisorption, 材料科学
  • {SNA} 12 Principles Aligned Products,
  • {SA} Analytical Standards, Analytical/Chromatography, Chromatography, Ondansetron hydrochloride Impurities, Pharmaceutical Impurities, Pharmaceutical Standards
  • {SNA} Alternative Energy, Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks,

相关文献及参考

  • Beilstein:23,65

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H351 Suspected of causing cancer 怀疑致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
RTECSNI7175000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P330+P331
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P308+P311
  • P308+P313
  • P309+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupII
UN Number 3259 UN3259
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 8 C T
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {}
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   14,301,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   14,301,1969

其他信息

  • 海关编码:29332990
  • 概述:2-甲基咪唑又称二甲基咪唑，常温下为白色针状结晶或结晶性粉末。相对分子质量82.11。熔点145～146℃。沸点267℃。能升华。闪点160℃。难溶于乙醚、冷苯，易溶于水、醇类、酮类。刺激皮肤和粘膜。小鼠经口LD501400mg/kg。2-甲基咪唑是生产抗滴虫农药灭滴灵(甲硝哒唑)的中间体。也是环氧树脂及其他树脂的固化剂及固化促进剂，在胺系固化剂中占有特殊地位，作为环氧树脂的中温固化剂时，可单独使用，在短时间内经热处理后，可制得热变形温度高的固化物。但主要用作粉末成型和粉末涂装的固化促进剂。可由2-甲基咪唑啉脱氢而得。
  • 2-甲基咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0345 2-甲基咪唑 2-Methylimidazole 25G 130元 2014/06/02 M0345 2-甲基咪唑 2-Methylimidazole 500G 563元 2010/06/21 127001000 2-甲基咪唑 2-Methylimidazole 99% 100 GR 229元
  • TCI Shanghai:2-甲基-1H-咪唑 2-Methylimidazole,>;97.0%(GC)(T)(693-98-1)
  • 有吸湿性。易溶于水、吡啶和乙醇，微溶于苯，有毒对皮肤、粘膜有刺激性和腐蚀性。
  • 制备方法:1，以乙二醛、乙醛及氨为原料，反应后生成2-甲基咪唑粗品，再升华精制，可制得成品。 2，以乙二胺和乙腈为原料，在硫磺存在下进行反应，生成咪唑啉，再在镍催化剂存在下，在200℃下脱氢，可制得2-甲基咪唑成品。 3，以乙二醛和甲胺在甲醛存在下反应，可制得。
  • 方法一:由2-甲基咪唑啉消除脱氢而得。将2-甲基咪唑啉加热熔融（熔点107℃），小心加入活性镍，升温至200-210℃反应2h。降温至150℃以下，加水溶解，趁热压滤，分离活性镍，将滤液浓缩至温度在140℃以上，放料冷却即得2-甲基咪唑。用该法生产纯度为≥98%的产品，1t产品消耗乙二胺（95%）1095kg、乙腈975kg。较好的方法是用乙二醛和醛作原料。
  • 下游产品:恩丹西酮 --> 5-溴-1,2-二甲基-1H-咪唑 --> 二甲硝咪唑 --> 甲硝唑 --> 2-甲基-5-硝基咪唑 --> 1-苄基-2-甲基咪唑 --> 2-甲基-4-硝基咪唑 --> 1-(β-羟乙基)-2-甲基咪唑
  • 上游原料:氨 --> 乙腈 --> 乙二胺 --> 乙二醛 --> 乙醛 --> 2-甲基咪唑啉
  • Alfa Aesar:2-甲基咪唑,97% 2-Methylimidazole, 97%(693-98-1)
  • 图谱信息:2-甲基咪唑(693-98-1)核磁图( 13 CNMR) 2-甲基咪唑(693-98-1)核磁图( 1 HNMR) 2-甲基咪唑(693-98-1)红外图谱(IR2) 2-甲基咪唑(693-98-1)质谱(MS) 2-甲基咪唑(693-98-1)红外图谱(IR1)
  • 用途二:该品是药物灭滴灵和饲料促长剂二甲唑的中间体，也是环氧树脂及其他树脂的固化剂。作为环氧树脂的中温固经剂时，可以单独使用，但主要用作粉末成型和粉末涂装的固化促进
  • Acros Organics:2-甲基咪唑 2-Methylimidazole, 99%(693-98-1)
  • 防护措施:有毒，对皮肤引起致敏性反应，其毒性与二元胺相近似。小鼠经口LD50为1400mg/kg，腹腔注射LD50为480mg/kg。操作人员应戴防护口罩及橡胶手套。
  • 常规方法:采用铁桶或木桶包装，内衬塑料袋，每桶30kg或50kg。贮存于阴凉通风处。防热、防晒、防潮。按有毒化学品规定贮运。
  • MSDS 信息:2-Methylimidazole(693
  • MOL 文件:693-98-1.mol
  • 蒸气压:<;1 mm Hg ( 0 °C)
  • Sigma Aldrich:693-98-1(sigmaaldrich)
  • 用途一:用作药物灭滴灵的中间体，也是环氧树脂及其他树脂的固化剂

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Impurities - Pharmaceutical Standards
  6. Ondansetron hydrochloride Impurities - Pharmaceutical Impurities
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Fluorous Chemistry 氟化学

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