ethyl 4-methyl-1H-pyrazole-5-carboxylate 4-甲基吡唑-3-甲酸乙酯

CAS 6076-12-6 MFCD00664125

化学结构图

6076-12-6
SMILES: CCOC(=O)c1[nH]ncc1C

化学属性

Mol. FormulaC7H10N2O2
Mol. Weight154.17
Melting Point157°C
Boiling Point283.6±20.0°C at 760 mmHg

别名和识别编码

Chemical NameEthyl 4-methyl-1H-pyrazole-3-carboxylate
Alfabeta NameETHYLCYANOPYRAZOLECARBOXYLATE H415-----
MDL NumberMFCD16619879
CAS Number6076-12-6
Chemical Name Translation4-甲基吡唑-3-甲酸乙酯
Synonym Ethyl 4-methyl-1H-pyrazole-3-carboxylate {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methyl-1H-pyrazole-3
Canonical SMILESO=C(C1=NNC=C1C)OCC
PubChem Substance ID13405303
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h4H,3H2,1-2H3,(H,8,9)
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分类

  • {KO} Nitriles
  • {KO} Esters
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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
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
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • 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.....

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
3
LogP
7.580000000000001e-002

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. Pyrazoles 吡唑

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