5-Chloro-1-Methylimidazole 5-氯-1-甲基咪唑

CAS 872-49-1 MFCD00014505

化学结构图

872-49-1
SMILES: C[n]1c[n]cc1Cl

化学属性

Mol. FormulaC4H5ClN2
Mol. Weight116.55
Boiling Point250-252 °C at 760mmHg
Refractive index1.5110 to 1.5150
Density1.25 g/mL at 25 °C(lit.)
Flash Point96°C(lit.)
TSCANo
Solubility不溶
Melting PointN/A

别名和识别编码

Chemical Name5-Chloro-1-Methylimidazole
CAS Number872-49-1
Alfabeta NameCHLOROMETHYLIMIDAZOLE H511-----
MDL NumberMFCD00014505
Synonym 5-Chloro-1-methylimidazole {LY} 5-Chloro-1-methylimidazole {} {LY} 5-Chloro-1-methylimidazole {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-methylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-1-
PubChem Substance ID87561051
EC Number212-827-6
Beilstein Registry Number23(5)4,458
Chemical Name Translation5-氯-1-甲基咪唑
Reaxys-RN110509
InChIKeyNYDGOZPYEABERA-UHFFFAOYSA-N
LabNetwork Molecule IDLN00004220
Canonical SMILESCN1C=NC=C1Cl
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • Intermediates
  • Heterocycles
  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Imidazoles

产品应用

  • A useful synthetic intermediate.

相关文献及参考

  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Signal word Warning
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 5-氯-1-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 C2317 5-氯-1-甲基咪唑 5-Chloro-1-methylimidazole 25G 2830元 2014/06/02 C2317 5-氯-1-甲基咪唑 5-Chloro-1-methylimidazole 5G 941元 2010/05/25 L11899 5-氯-1-甲基咪唑, 98% 5-Chloro-1-methylimidazole, 98% 5g 4830元
  • 上游原料:三氯氧磷 --> 五氯化磷 --> 二甲胺 --> N,N'-二甲基草酰胺
  • 方法一:由乙二酰二甲胺和五氯化磷反应得到。将过量的乙二酰二甲胺和五氯化磷分次投入反应锅中，在70-80℃下保温2h，放置过夜，减压蒸出氧氯化磷，温度不超过100℃，冷却，加入冰水，搅拌，用30-40%碱液调节pH为9-10，静置。分出油状物，母液冷却，析出无机盐后过滤，用氯仿洗涤，并用氯仿抽提母液。合并油层及氯仿层，回收氯仿，减压蒸馏，收集沸点110-115℃（4.0kPa）馏分，得1-甲基-5-氯咪唑。收率为52%。
  • 下游产品:5-氯-1-甲基-4-硝基咪唑 --> 硫唑嘌呤
  • Alfa Aesar:5-氯-1-甲基咪唑,98% 5-Chloro-1-methylimidazole, 98%(872-49-1)
  • MSDS 信息:5-Chloro-1-methylimidazole(872-49-1).msds
  • Sigma Aldrich:872-49-1(sigmaaldrich)
  • MOL 文件:872-49-1.mol
  • 用途一:医药中间体。

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. Imidazoles 咪唑
  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. Halogenated Heterocycles 卤代杂环
  5. Imidazoles - Halogenated Heterocycles

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