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 {} {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-1
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


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