4,6-Dichloronicotinic acid 4,6-二氯烟酸

CAS 73027-79-9 MFCD00234146

化学结构图

73027-79-9
SMILES: O=C(O)c1cnc(Cl)cc1Cl

化学属性

Mol. FormulaC6H3Cl2NO2
Mol. Weight192.00
Melting Point158-160°C
Density1.422

别名和识别编码

Chemical Name4,6-Dichloronicotinic acid
CAS Number73027-79-9
Alfabeta NameDICHLORONICOTINICACID 46-,
MDL NumberMFCD00234146
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 4,6-Dichloronicotinic acid {LY} 4,6-Dichloronicotinic acid {} {LY} 4,6-Dichloronicotinic acid {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,6-Dichloronicotinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4,6-二氯烟酸
PubChem Substance ID329789499
Reaxys-RN136220
Canonical SMILESO=C(O)C1=CN=C(Cl)C=C1Cl
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分类

  • {SA} Building Blocks, C6 to C7, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyridines
  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • S36/37/39 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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°

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
2

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. Others 其他杂环
  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. Others 其他杂环
  1. C6 - Pyridines
  1. C6 to C7 - Pyridines

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