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

128455-63-0
SMILES: CN1N=C(C(C(O)=O)=C1Cl)C(F)(F)F

化学属性

Mol. FormulaC6H4ClF3N2O2
Mol. Weight229
Melting Point200-202°

别名和识别编码

Chemical Name5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
CAS Number128455-63-0
Alfabeta NameCHLOROMETHYLTRIFLUOROMETHYLPYRAZOLECARBOXYLICACID H51314()---------
MDL NumberMFCD00215443
Synonym
PubChem Substance ID329817499
Chemical Name Translation5-氯-1-甲基-3-(三氟甲基)吡咯-4-羧酸
LabNetwork Molecule IDLN00148608
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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

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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
Signal word Warning
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；
Hazard statements
  • 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
Hazard Codes Xn
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
  • 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

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  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
  5. C6 - Pyrazoles
  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
  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. Heterocyclic Acids 杂环酸
  5. Pyrazole Acids

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