5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid 5-氯-1-甲基-3-(三氟甲基)吡咯-4-羧酸
CAS 128455-63-0 MFCD00215443
化学结构图
SMILES: CN1N=C(C(C(O)=O)=C1Cl)C(F)(F)F
化学属性
| Mol. Formula | C6H4ClF3N2O2 |
|---|---|
| Mol. Weight | 229 |
| Melting Point | 200-202° |
别名和识别编码
| Chemical Name | 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid |
|---|---|
| CAS Number | 128455-63-0 |
| Alfabeta Name | CHLOROMETHYLTRIFLUOROMETHYLPYRAZOLECARBOXYLICACID H51314()--------- |
| MDL Number | MFCD00215443 |
| Synonym | |
| PubChem Substance ID | 329817499 |
| Chemical Name Translation | 5-氯-1-甲基-3-(三氟甲基)吡咯-4-羧酸 |
| LabNetwork Molecule ID | LN00148608 |
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分类
- Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrazoles
- {KO} ReacChlorides
- {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
- {KO} CarboxylicAcids
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P305+P351+P338
- 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；
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H319 Causes serious eye irritation 严重刺激眼睛
- H302+H312+H332
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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
1
