Picolinic acid 2-吡啶甲酸

CAS 98-98-6 MFCD00006293

化学结构图

98-98-6
SMILES: O=C(O)C1CCCCN1

化学属性

Mol. FormulaC6H5NO2
Mol. Weight123.11
Density1.293
Melting Point139-142°C
Flash Point139°(232°F)
TSCAYes
Appearance 白色针状结晶。熔点134-136℃，易溶于冰乙酸，几乎不溶于乙醚、氯仿和二硫化碳。
SolubilitySoluble in glacial acetic acid, water (50 mg/ml), ethanol (63 mg/ml), and methanol. Insoluble in chloroform.
Boiling Point229.19 °C at 760 mmHg

别名和识别编码

Chemical Name2-Picolinic Acid
CAS Number98-98-6
Alfabeta NamePICOLINICACID
MDL NumberMFCD00006293
EC Number202-719-7
Beilstein Registry Number109595
Synonym Picolinic acid {LY} Picolinic acid {} {LY} Picolinic acid {} {} {LY} Picolinic acid {} {} {} {LY} Picolinic acid {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picolinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID1018
Merck Number7403
Chemical Name Translation2-吡啶甲酸
Reaxys-RN109595
Wiswesser Line NotationT6NJ BVQ
LabNetwork Molecule IDLN00173995
InChIInChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
Canonical SMILESO=C(O)C1=CC=CC=N1
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {SNA} Building Blocks, C-H Activation, C6, Catalysis and Inorganic Chemistry, Chemical Synthesis,
  • {SNA} Building Blocks, C-H Activation, C6, Catalysis and Inorganic Chemistry, Chemical Synthesis, Heterocyclic Building Blocks, Ligands and Auxiliaries, Pyridines
  • {SNA} Analytical Reagents,
  • {SNA} Analytical Reagents for General Use, Mass Spectrometry (MS), Matrix Substances for MALDI-MS, O-P, Puriss p.a., Puriss p.a., Spectroscopy, 分析/色谱, 分析试剂
  • {SNA} Building Blocks,

产品应用

  • 有机合成中间体。

相关文献及参考

  • Amino groups can be protected, by DCC coupling, as picolinamides, which can be cleaved with acidic Cu(OAc)2: Synth. Commun., 383 (1972).
  • Has been found to accelerate significantly oxidations with chromic acid: J. Am. Chem. Soc., 98, 1026 (1976).
  • Merck: 14,7403
  • Merck: 14,7403 Beilstein:22,33
  • [1]. E.G. Romanowski, et al. A Novel Topical Antiviral Agent, PCL–016 (Picolinic Acid), Inhibits Adenovirus Replication in the Ad5/NZW Rabbit Ocular Model. ARVO Annual Meeting Abstract. May 2005 Volume 46, Issue 13.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • 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
  • 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。
  • P264+P265
  • 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。
  • 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。
  • 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
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSTJ7344000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Storage condition 2-8°C {LY} 2-8°C Store at RT. {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 562 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 487 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - other Enzymes
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 23,1343,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 360 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - other Enzymes
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 17,2377,1969

其他信息

  • 用途二:有机合成中间体。
  • 检测方法:HPLC,NMR
  • 用途一:2-甲基吡啶 高锰酸钾
  • 下游产品:2-氨基-4-氯吡啶 --> 2-氨基-4-羟基吡啶 --> 4-氯吡啶-2-甲酰胺 --> 3-溴-2-吡啶羧酸 --> 2-吡啶甲酰肼 --> 4-氯-3-乙基-1-甲基吡唑-5-羧酸乙酯 --> 4-碘吡啶-2-羧酸 --> 吡啶-2-甲酰氯盐酸盐
  • Acros Organics:2-吡啶甲酸 Picolinic acid, 99%(98-98-6)
  • 方法一:将50g2-甲基吡啶加入2500ml水中，加热搅拌，加入90g高锰酸钾，约1h后再加入第二份90g高锰酸钾。补加500ml水并继续加热2-2.5h，直至紫色消失。冷却，滤出二氧化锰沉淀，用热水洗涤。将滤液减压浓缩，过滤。浓缩液用浓盐酸酸化至刚果红酸性后蒸发至干，将其与250ml95%乙醇检煮回流1h。过滤，滤饼用95%乙醇提取，合并乙醇滤液及提取液，通入干燥的氯化氢，至晶体开始析出为止。冷却至10℃，再通氯化氢至馏和，滤出吡啶甲酸盐酸盐，干燥后得43-44g（盐酸盐熔点210-212℃）。
  • 2-吡啶甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010186 2-吡啶甲酸 100g 280元 2011/04/16 P0421 吡啶甲酸 Pyridine-2-carboxylic Acid 25G 230元 2011/04/16 P0421 吡啶甲酸 Pyridine-2-carboxylic Acid 500G 1650元
  • MOL 文件:98-98-6.mol
  • Alfa Aesar:吡啶2-甲酸,99% 2-Picolinic acid, 99%(98-98-6)
  • 图谱信息:2-吡啶甲酸(98-98-6)红外图谱(IR1) 2-吡啶甲酸(98-98-6)核磁图( 13 CNMR) 2-吡啶甲酸(98-98-6)质谱(MS) 2-吡啶甲酸(98-98-6)红外图谱(IR2) 2-吡啶甲酸(98-98-6)核磁图( 1 HNMR)
  • 海关编码:29333999
  • Sigma Aldrich:98-98-6(sigmaaldrich)
  • 水中溶解度:887 g/L (20°C)，溶于乙醇(63 g/l), 易溶于冰乙酸,几乎不溶于乙醚、氯仿和二硫化碳。
  • 上游原料:乙醇 --> 高锰酸钾 --> 二氧化锰 --> 直接红 28
  • MSDS 信息:2-Pyridinecarboxylic acid(98-98-6).msds
  • TCI Shanghai:2-吡啶甲酸 Picolinic Acid,>;99.0%(T)(98-98-6)

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. Mass Spectrometry (MS) - Spectroscopy
  5. Matrix Substances for MALDI-MS - Mass Spectrometry (MS)
  1. C6 - Pyridines
  1. C6 - Pyridines
  1. C5
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Analytical Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Adsorbents, Filter Aids and Drying Agents
  3. Other Drying Agents
  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. Heterocyclic Acids 杂环酸
  5. Pyridine Acids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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