6-Hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylic acid 6-羟基-2-氧代-1,2-二氢吡啶-4-羧酸

CAS 99-11-6 MFCD00006274

化学结构图

99-11-6
SMILES: O=C(O)c1cc(O)[nH]c(=O)c1

化学属性

Mol. FormulaC6H5NO4
Mol. Weight155.11
Melting Point300°C
TSCAYes
Solubility难溶
Density1.708
Appearance 淡黄色针状结晶或粉末，300℃以上炭化但不熔化。可溶于氢氧化钠或碳酸钠溶液，放置后转为蓝色，微溶于盐酸盐，几乎不溶于冷水。见光或露置空气中颜色逐渐变深。

别名和识别编码

Chemical Name6-Hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CAS Number99-11-6
Alfabeta NameCITRAZINICACID
MDL NumberMFCD00006274
Synonym Citrazinic acid {LY} Citrazinic acid {} {LY} Citrazinic acid {} {} {LY} Citrazinic acid {} {} {} {LY} Citrazinic acid {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Citrazinic acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7425
Beilstein Registry Number22,254
EC Number202-731-2
Merck Number2325
Reaxys-RN383736
Chemical Name Translation6-羟基-2-氧代-1,2-二氢吡啶-4-羧酸
Wiswesser Line NotationT6NJ BQ DVQ FQ
LabNetwork Molecule IDLN00336868
InChIInChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
Canonical SMILESO=C(C(C=C(O)N1)=CC1=O)O
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

相关文献及参考

  • Merck: 14,2325 Beilstein:22,254
  • Merck: 14,2325

安全信息

Warnings IRRITANT
WGK Germany1
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。
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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
  • P302+P352+P332+P313+P362+P364
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
RTECSNS1400000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
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
Hazard Codes Xi 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

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

  • Acros Organics:柠嗪酸(2,6-二羟基异烟酸) Citrazinic acid, 98%(99-11-6)
  • 不溶于水，溶于碱性氢氧化物和碳酸盐溶液，微溶于热盐酸。
  • 用途二:用于药物、染料和彩色胶片成色剂的合成。
  • 方法一:由柠檬酸经酯化、氨解、闭环而得。酯化反应在硫酸存在下进行，经48h脱水后，回收溶剂和乙醇，残留物经水洗、碱洗、水洗至pH为6，得柠檬酸三乙酯粗品。加入氨水，通氨至饱和。放置以后，再通氨饱和，每天饱和一次，共三次，滤出结晶，将所得柠檬酸三甲酸胺于硫酸存在下120℃左右保温3h，慢慢倒入蒸馏水中，得粗品，再用酸碱精制而得柠嗪酸。采用柠檬酸三甲酯的制备方法大致与上述过程相同。在柠檬酸三甲酯中加入氨水，于室温放置约48h，浓缩后，加75%硫酸，放置12h，于130℃加热10min，用水稀释，过滤沉淀物即得粗品。将粗品溶于氨水，加盐酸即得沉淀，过滤，水洗，干燥。收率为69%。
  • 图谱信息:柠嗪酸(99-11-6)红外图谱(IR1) 柠嗪酸(99-11-6)红外图谱(IR2) 柠嗪酸(99-11-6)质谱(MS)
  • MOL 文件:99-11-6.mol
  • TCI Shanghai:2,6-二羟基异烟酸 Citrazinic Acid,>;98.0%(T)(99-11-6)
  • 柠嗪酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30043570 柠嗪酸;2,6-二羟基异烟酸; 2,6-二羟基吡啶-4-羧酸; 二羟氮苯甲酸; 二缩一酰胺柠檬酸 10g 48元 2011/08/23 30043580 柠嗪酸;2,6-二羟基异烟酸; 2,6-二羟基吡啶-4-羧酸; 二羟氮苯甲酸; 二缩一酰胺柠檬酸 10g 41元 2011/04/16 C0571 柠嗪酸 Citrazinic Acid 25G 378元
  • 检测方法:HPLC
  • 下游产品:
  • MSDS 信息:2,6-Dihydroxyisonicotinic acid(99-11-6).msds
  • 海关编码:29333999
  • Alfa Aesar:柠嗪酸,97% Citrazinic acid, 97%(99-11-6)
  • Sigma Aldrich:99-11-6(sigmaaldrich)
  • 上游原料:甲酸铵 --> 柠檬 --> 柠檬酸三乙酯 --> 柠檬酸三甲酯
  • 用途一:用作医药、农药中间体

系列性分类

  1. C6 - Pyridines
  1. C5
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids

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