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 calcium dipicolinate trihydrate chromium picolinate iron(III) picolinate picolinate picolinic acid picolinic acid, hydrochloride picolinic acid, sodium salt pyridine-2-carboxylic acid zinc picolinate {} {LY} Picolinic acid {} {} {LY} Picolinic acid {} {} {} {LY} Picolinic acid {} {} {} {} {PubChem} 2-pyridinecarboxylic acid {} {} {} {} {} {PubChem} 2-pyridine carboxylic 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
  • P305+P354+P338
  • 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
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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


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