4-Chloropyridine-2,6-dicarboxylic acid 4-氯吡啶-2,6-二羧酸

CAS 4722-94-5 MFCD04117894

化学结构图

4722-94-5
SMILES: O=C(O)c1cc(Cl)cc(C(=O)O)n1

化学属性

Mol. FormulaC7H4ClNO4
Mol. Weight201.56
Melting Point210 °C
Density1.422
Flash Point230.2±28.7 °C
Boiling Point457.1±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chloropyridine-2,6-dicarboxylic acid
CAS Number4722-94-5
Alfabeta NameCHLOROPYRIDINEDICARBOXYLICACID 426---,
MDL NumberMFCD04117894
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 4-Chloropyridine-2,6-dicarboxylic acid {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloropyridine-2,6-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-C
Chemical Name Translation4-氯吡啶-2,6-二羧酸
LabNetwork Molecule IDLN00010480
Reaxys-RN162726
PubChem Substance ID304010
InChIInChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
Canonical SMILESC1=C(C=C(C(=O)O)N=C1C(=O)O)Cl
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分类

  • {KO} ReacChlorides
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
2
H-bond Donors
2
LogP
1

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. Heterocyclic Acids 杂环酸
  5. Pyridine Acids
  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. Pyridines 吡啶

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