2-Quinoxalinone 2-羟基喹喔啉

CAS 1196-57-2 MFCD00006722

化学结构图

1196-57-2
SMILES: O=c1cnc2ccccc2[nH]1

化学属性

Mol. FormulaC8H6N2O
Mol. Weight146.15
Density1.31
Melting Point271-272°C
Appearance 白色针状结晶，溶于乙醇、乙醚及热水，熔点271-272℃
Boiling Point265.75 °C at 760 mmHg

别名和识别编码

Chemical Name2-Quinoxalinone
CAS Number1196-57-2
Alfabeta NameQUINOXALINOL 2-
MDL NumberMFCD00006722
EC Number214-815-6
Beilstein Registry Number24(2)72
Synonym 2-Quinoxalinol {LY} 2-Quinoxalinol {} {LY} 2-Quinoxalinol {} {} {LY} 2-Quinoxalinol {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Quinoxalinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Q
PubChem Substance ID14526
Reaxys-RN606883
Chemical Name Translation2-羟基喹喔啉
Wiswesser Line NotationT66 BN ENJ CQ
InChIKeyFFRYUAVNPBUEIC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00174549
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
Canonical SMILESO=C1C=NC2=CC=CC=C2N1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Quinoxalines
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂

相关文献及参考

  • Beilstein:24(2)72

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
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；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • 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；
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
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。
  • 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
  • P305+P351+P338+P337+P313
Hazard Codes Xi
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
RTECSVD3630000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00285

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:2-羟基喹喔啉 2-Hydroxyquinoxaline,>;98.0%(T)(1196-57-2)
  • Sigma Aldrich:1196-57-2(sigmaaldrich)
  • MOL 文件:1196-57-2.mol
  • 2-羟基喹喔啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0591 2-羟基喹喔啉 2-Hydroxyquinoxaline 500G 2560元 2014/06/02 H0591 2-羟基喹喔啉 2-Hydroxyquinoxaline 25G 350元
  • 上游原料:过氧化氢 --> 碳酸钙 --> 氯乙酸 --> 1,2-苯二胺 --> 浓盐酸 --> 乙醛酸 --> 2-羟基喹噁啉
  • 用途一:2-羟基喹噁啉简称2-羟，是有机磷杀虫剂喹硫磷的中间体，也是一种医药中间体。
  • 下游产品:磺胺喹恶啉 --> 2-氨基喹喔啉 --> 2-肼基喹喔啉 --> 4-羟基喹唑啉
  • 检测方法:HPLC,NMR
  • 图谱信息:2-羟基喹喔啉(1196-57-2)红外图谱(IR2) 2-羟基喹喔啉(1196-57-2)核磁图( 13 CNMR) 2-羟基喹喔啉(1196-57-2)红外图谱(IR1) 2-羟基喹喔啉(1196-57-2)核磁图( 1 HNMR) 2-羟基喹喔啉(1196-57-2)质谱(MS)
  • 方法一:其制备方法是以邻苯二胺和氯乙酸为起始原料，先合成2-羟基-二氢喹噁啉(简称二氢)，再用过氧化氢氧化，得到2-羟基喹噁啉。将氯乙酸、水加到1000L搪瓷反应釜中，搅拌使其溶解，再加入邻苯二胺，并不断搅拌，分批投入轻质碳酸钙，升温并反应一定时间。降温，加入氢氧化钠水溶液，将物料搅拌打碎。加入过氧化氢，升温反应一定时间。趁热过滤除去滤渣，滤液用浓盐酸中和，过滤，干燥，即得到2-羟基喹噁啉。 现在用乙醛酸路线，质量好，收率高。

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. Quinazolines 喹唑啉
  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. Quinoxalines 喹喔啉

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