Ethyl 1,4,5,6-Tetrahydrocyclopentapyrazole-3-Carboxylate 1,4,5,6-四氢-3-环戊二烯并吡唑羧酸乙酯

CAS 5932-31-0 MFCD07778361

化学结构图

5932-31-0
SMILES: CCOC(=O)c1n[nH]c2c1CCC2

化学属性

Mol. FormulaC9H12N2O2
Mol. Weight180.20
Melting Point125 °C
Density
Boiling Point384.1±42.0 °C at 760 mmHg

别名和识别编码

Chemical NameEthyl 1,4,5,6-Tetrahydrocyclopentapyrazole-3-Carboxylate
Alfabeta NameETHYLTETRAHYDROCYCLOPENTAPYRAZOLECARBOXYLATE C14563[]---,,,
MDL NumberMFCD07778361
CAS Number5932-31-0
Chemical Name Translation1,4,5,6-四氢-3-环戊二烯并吡唑羧酸乙酯
Synonym Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate {} {} {} {} {} {} {}
EC Number
Beilstein Registry Number
LabNetwork Molecule IDLN00001462
PubChem Substance ID23005643
InChIInChI=1S/C9H12N2O2/c1-2-13-9(12)8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
Canonical SMILESCCOC(=O)C1=NNC2=C1CCC2
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分类

  • {KO} Esters
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
GHS Symbol
UN Number
Hazard Codes
Signal word
WGK Germany
Safety Statements
Risk Statements
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECS
Packing Group
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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 Donors
1
H-bond Acceptors
3
Rotatable Bonds
3
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. Pyrazoles 吡唑

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