N-Methyl pyrrole N-甲基吡咯

CAS 96-54-8 MFCD00005345

化学结构图

96-54-8
SMILES: CN1CCCC1

化学属性

Mol. FormulaC5H7N
Mol. Weight81.12
Density0.914
Refractive index1.4860 to 1.4890
Boiling Point111-114°C at 760 mmHg
Vapor Density2.8 (vs air)
Vapor Pressure15 mmHg ( 20.2 °C)
Melting Point-57°C
Flash Point16°C
TSCAYes
Stability对光敏感
Appearance liquid 无色透明液体，见光、露置或久贮变成淡黄色至棕色。熔点-57℃，沸点112～113℃，闪点15℃。折光率1.4870，相对密度0.914。不溶于水，溶于乙醇等有机溶剂。

别名和识别编码

Chemical NameN-Methyl pyrrole
CAS Number96-54-8
EC Number202-513-7
Beilstein Registry Number104181
MDL NumberMFCD00005345
Synonym N-Methyl pyrrole {LY} N-Methyl pyrrole {} {LY} N-Methyl pyrrole {} {} {LY} N-Methyl pyrrole {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Methyl pyrrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7304
Chemical Name TranslationN-甲基吡咯
Reaxys-RN104181
LabNetwork Molecule IDLN00220638
InChIInChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
Canonical SMILESCN1C=CC=C1
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles

产品应用

  • 痛灭定的中间体，也可作为染料稳定剂,防腐剂。

相关文献及参考

  • Lithiation occurs at the 2-position. Excess n-BuLi in the presence of TMEDA leads to 2,5-dimetallation: J. Chem. Soc. Perkin I, 887 (1977).
  • Reaction of benzenoid aromatics with lactones under Friedel-Crafts conditions normally results in alkylation. With 1-methylpyrrole and - or δ-lactones in the presence of AlCl3, acylation at the 2-position predominates: Tetrahedron Lett., 36, 6739 (1995).
  • Beilstein:20,163
  • Short: II/24B
  • Short: II/2

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S25 Avoid contact with eyes 避免眼睛接触；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
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。
  • 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。
  • 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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUX9640000
Packing GroupII
UN Number 1993 UN 1993 3/PG 2
Hazard Codes 3
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}
Hazard Class3 
TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 40600 ug/disk
REFERENCE :
   JFAKAU Journal of the Faculty of Agriculture, Kyushu University.  (Kyushu
   Univ., Faculty of Agriculture, 6-10-1 Hakozaki, Higashi-ku, Fukuoka, 812,
   Japan)  V.9-    1948-  Volume(issue)/page/year: 31,279,1987

其他信息

  • TCI Shanghai:1-甲基吡咯 1-Methylpyrrole,>;99.0%(GC)(96-54-8)
  • 用途三:痛灭定的中间体，也可作为染料稳定剂,防腐剂。
  • 蒸气密度:2.8 (vs air)
  • 下游产品:1-甲基-1H-吡咯-2-羰酰氯 --> (1-甲基-1H-吡咯-2-yl)甲基胺 --> 3,4'-二氯二苯醚 --> 1-甲基-1H-吡咯-2-甲酸乙酯
  • Sigma Aldrich:96-54-8(sigmaaldrich)
  • 用途二:痛灭定的中间体，也可作为染料稳定剂、防腐剂。
  • Acros Organics:1-甲基吡咯(N-甲基吡咯) N-Methylpyrrole, 99+%(96-54-8)
  • color:yellow-brown
  • 具刺激性,高度易燃。水中溶解度:13 g/l 水(20°C)，溶于醇，和大多数常规有机溶剂混溶。
  • 海关编码:29339990
  • MSDS 信息:1-Methyl-1H-pyrrole(96-54-8).msds
  • Alfa Aesar:N-甲基吡咯,99% 1-Methylpyrrole, 99%(96-54-8)
  • 蒸气压:15 mm Hg ( 20.2 °C)
  • 图谱信息:N-甲基吡咯(96-54-8)红外图谱(IR1) N-甲基吡咯(96-54-8)核磁图( 1 HNMR) N-甲基吡咯(96-54-8)质谱(MS) N-甲基吡咯(96-54-8)核磁图( 13 CNMR)
  • MOL 文件:96-54-8.mol
  • 用途一:可用作有机合成原料，广泛用作医药中间体和有机溶剂
  • N-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 2011/08/23 xw010256 N-甲基吡咯 100ml 135元 2011/04/16 M0414 1-甲基吡咯 1-Methylpyrrole 500ML 1090元 2011/04/16 M0414 1-甲基吡咯 1-Methylpyrrole 25ML 146元

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  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
  1. Materials Science 材料科学
  2. Reagents for Conducting Polymer Research