2,5-Dimethyl-1H-pyrrole 2,5-二甲基吡咯

CAS 625-84-3 MFCD00005223

化学结构图

625-84-3
SMILES: Cc1ccc(C)[nH]1

化学属性

Mol. FormulaC6H9N
Mol. Weight95.15
Boiling Point165°C at 760 mmHg
Refractive index1.5020 to 1.5070
Density0.935
Flash Point54°C
Appearance 无色至带黄色油状液体。有强烈刺激臭。沸点165℃。混溶于乙醇和乙醚，极难溶于水。在空气中可成红色树脂状物。
Melting Point6.5 °C

别名和识别编码

Chemical Name2,5-Dimethyl-1H-pyrrole
CAS Number625-84-3
Alfabeta NameDIMETHYLPYRROLE 25-,
MDL NumberMFCD00005223
Synonym 2,5-Dimethyl-1H-pyrrole {LY} 2,5-Dimethyl-1H-pyrrole 2,5-dimethylpyrrole {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1H-pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID12265
EC Number210-913-8
Chemical Name Translation2,5-二甲基吡咯
Reaxys-RN106448
Beilstein Registry Number20,172
LabNetwork Molecule IDLN00009582
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
Canonical SMILESCC1=CC=C(C)N1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles

产品应用

  • 有机合成中间体。

相关文献及参考

  • Short: II/27B
  • Short: III/38B
  • Beilstein:20,172

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUX9465930
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • P301+P310
  • P301+P310+P330
  • P301+P316
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes T
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）；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
UN Number 2929 UN 1992 3/PG 3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1/3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 59 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,6,1990

其他信息

  • 上游原料:乙醇 --> 碳酸铵 --> 吡咯 --> 2,5-己二酮 --> 管子
  • TCI Shanghai:2,5-二甲基吡咯 2,5-Dimethylpyrrole,>;98.0%(GC)(625-84-3)
  • 用途二:有机合成中间体。
  • MOL 文件:625-84-3.mol
  • 图谱信息:2,5-二甲基吡咯(625-84-3)核磁图( 13 CNMR) 2,5-二甲基吡咯(625-84-3)红外图谱(IR1) 2,5-二甲基吡咯(625-84-3)质谱(MS) 2,5-二甲基吡咯(625-84-3)核磁图( 1 HNMR)
  • Acros Organics:2,5-Dimethylpyrrole, 97%(625-84-3)
  • MSDS 信息:2,5-Dimethyl-1H-pyrrole(625-84-3).msds
  • 用途一:香料。
  • 方法二:将2,5-己二酮和碳酸铵一起加热，至起泡现象停止，约需1-1.5h，再在115℃缓缓回流半小时，冷却，分出上层物，即2,5-二甲基吡咯。上述反应物下层物用氯仿提取，还能回收一部分产品。粗品减压蒸馏，收集51-53℃（1.07kPa）或78-80℃（3.33kPa）馏分，即得成品。收率81-86%。
  • 参考质量标准:FCC，1997 含量 ≥98.0% 折射率( D 25 ) 1.503~1.506 相对密度(d 25 25 ) 0.932~0.942 含水量(同"03512”) ≤0.5%
  • 2,5-二甲基吡咯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0260 2,5-二甲基吡咯 2,5-Dimethylpyrrole 25ML 1240元 2014/06/02 D0260 2,5-二甲基吡咯 2,5-Dimethylpyrrole 5ML 467元 2010/06/21 116750250 2,5-二甲基吡咯 2,5-Dimethylpyrrole 97% 25 GR 1405元
  • 含量分析:按气相色谱法(GT-10-4)中的极性柱进行分析。
  • Sigma Aldrich:625-84-3(sigmaaldrich)
  • 易溶于醇、醚、氯仿，溶于水。能随水蒸气挥发。
  • 方法一:由丙酮基丙酮与氨的酒精溶液密封于管子中加热而得。 由溴化吡咯镁与碘代甲烷作用而得。

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. Pyrimidines 嘧啶
  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. Pyrroles 吡咯
  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. Pyrroles 吡咯

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