1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3(2H)-One 1-甲基-5-(三氟甲基)-1H-吡唑-3(2H)-酮
CAS 119022-51-4 MFCD00085094
化学结构图
SMILES: CN1N=C(O)C=C1C(F)(F)F
化学属性
| Mol. Formula | C5H5F3N2O |
|---|---|
| Mol. Weight | 166.10 |
| Melting Point | 129-134 °C |
别名和识别编码
| Chemical Name | 1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3(2H)-One |
|---|---|
| CAS Number | 119022-51-4 |
| Alfabeta Name | METHYLTRIFLUOROMETHYLPYRAZOLOL H1513()------- |
| MDL Number | MFCD00085094 |
| Synonym | 3-羟基-1-甲基-5-三氟甲基-1H-吡唑 1-甲基-5-三氟甲基-1H-吡唑-3-醇 |
| Beilstein Registry Number | 3543409 |
| Chemical Name Translation | 1-甲基-5-(三氟甲基)-1H-吡唑-3(2H)-酮 |
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分类
- {SNA} Building Blocks, C3 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
- {KO} HeteroArylOH
相关文献及参考
安全信息
GHS Symbol
- P301+P310
- 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
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H301 Toxic if swallowed 吞食有毒
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- 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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- R25 Toxic if swallowed 吞咽有毒
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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
2
Rotatable Bonds
0
LogP
1
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