6-Nitroquinoline 6-硝基喹啉

CAS 613-50-3 MFCD00006799

化学结构图

613-50-3
SMILES: O=[N+]([O-])c1ccc2ncccc2c1

化学属性

Mol. FormulaC9H6N2O2
Mol. Weight174.16
Melting Point151-153°C
TSCANo
Density1.422
Appearance 浅黄色针状结晶。熔点153-154℃（150℃）。能升华。溶于热水及热乙醇，易溶于苯和稀无机酸，微溶于冷水。
Boiling Point335.4°C at 760 mmHg

别名和识别编码

Chemical Name6-Nitroquinoline
CAS Number613-50-3
Alfabeta NameNITROQUINOLINE 6-
MDL NumberMFCD00006799
PubChem Substance ID11945
EC Number210-346-6
Synonym 6-Nitroquinoline {LY} 6-Nitroquinoline {} {LY} 6-Nitroquinoline {} {} {LY} 6-Nitroquinoline {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Nitroquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN136138
Beilstein Registry Number136138
Chemical Name Translation6-硝基喹啉
Wiswesser Line NotationT66 BNJ HNW
InChIInChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
LabNetwork Molecule IDLN00174880
Canonical SMILES[O-][N+](C1=CC=C2C(C=CC=N2)=C1)=O
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分类

  • Building Blocks, C8 to C10, Chemical Synthesis, Heterocyclic Building Blocks, Quinolines
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 1fragment
  • {SNA} Building Blocks, C8 to C10, Chemical Synthesis, Heterocyclic Building Blocks, Quinolines

相关文献及参考

  • Short: III/35E
  • Short: IV/1a

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • P304+P340+P312
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P305+P351+P338
  • P302+P352+P312+P362+P364
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
Signal word
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H351 Suspected of causing cancer 怀疑致癌
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
Hazard Codes Xn
RTECSVC1900000
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,11,1978

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 100 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 42,335,1977

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5700 nmol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

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

其他信息

  • Alfa Aesar:6-硝基喹啉,98+% 6-Nitroquinoline, 98+%(613-50-3)
  • MOL 文件:613-50-3.mol
  • Sigma Aldrich:613-50-3(sigmaaldrich)
  • 上游原料:硫酸 --> 硫化钠 --> 甘油 --> 4-硝基苯胺 --> 丙烯醛 --> 五氧化二钒 --> 3-硝基苯磺酸钠 --> N-甲基对硝基苯胺 --> 砷酸
  • 图谱信息:六硝基癸啉(613-50-3)红外图谱(IR1) 六硝基癸啉(613-50-3)核磁图( 1 HNMR) 六硝基癸啉(613-50-3)质谱(MS) 六硝基癸啉(613-50-3)红外图谱(IR2) 六硝基癸啉(613-50-3)核磁图( 13 CNMR)
  • 下游产品:6-氨基喹啉
  • 六硝基癸啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0252 6-硝基喹啉 6-Nitroquinoline 5G 299元 2014/06/02 N0252 6-硝基喹啉 6-Nitroquinoline 25G 993元 2010/05/25 A17212 6-硝基喹啉, 98+% 6-Nitroquinoline, 98+% 50g 2282元
  • TCI Shanghai:6-硝基喹啉 6-Nitroquinoline,>;98.0%(GC)(T)(613-50-3)
  • 方法一:以对硝基苯胺为原料，与丙烯醛缩合后再经环合而得，或与甘油环合制得。1.丙烯醛法将丙烯醛和对硝基苯胺加入反应锅，升温至75-80℃，保温1h，加入碘、碘化钾和硫酸。继续缓缓升温至110℃，保温20min，然后升温至120℃，保温半小时，再升温至136℃以上。反应结束后，加入大量水稀释。用活性炭脱色后，中和至pH=3-4。过滤，用水洗至pH为7，低温干燥，即得6-硝基喹啉。2.甘油法将对硝基苯胺、甘油、砷酸加入反应锅中加热，至70℃时开始滴加硫酸。加毕，在132-136℃下反应1h。加水稀释，用活性炭脱色后，以20%氢氧化钠溶液中和至pH2.5-3。甩滤，依次用水和饱和硫化钠溶液洗涤，干燥即得成品。
  • 用途一:用于有机合成。

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. Isoquinolines 异喹啉
  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. Quinaldines 奎纳丁
  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. Quinolines 喹啉
  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. Quinolines 喹啉
  5. C8 to C10 - Quinolines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Quinolines 喹啉

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