Ethyl 4,6-dichloronicotinate 4,6-二氯烟酸乙酯

CAS 40296-46-6 MFCD00234408

化学结构图

40296-46-6
SMILES: CCOC(=O)c1cnc(Cl)cc1Cl

化学属性

Mol. FormulaC8H7Cl2NO2
Mol. Weight220.05
Melting Point32-34°
Density1.422

别名和识别编码

Chemical NameEthyl 4,6-dichloronicotinate
CAS Number40296-46-6
Alfabeta NameETHYLDICHLORONICOTINATE 46-,
MDL NumberMFCD00234408
EC Number250-023-7
Beilstein Registry Number2384789
Synonym Ethyl 4,6-dichloronicotinate
Chemical Name Translation4,6-二氯烟酸乙酯
PubChem Substance ID329772867
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, C7 to C8, C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
  • {KO} Esters

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
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。
  • P305+P351+P338
Storage condition 储存温度2-8℃
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

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
3
H-bond Donors
0
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. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C7 to C8 - Pyridines

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