5-(Trifluoromethyl)picolinic acid 5-三氟甲基吡啶-2-羧酸

CAS 80194-69-0 MFCD04113632

化学结构图

80194-69-0
SMILES: OC(=O)C1C=CC(=CN=1)C(F)(F)F

化学属性

Mol. FormulaC7H4F3NO2
Mol. Weight191
Melting Point135.0 to 139.0 deg-C

别名和识别编码

Chemical Name5-(Trifluoromethyl)picolinic acid
CAS Number80194-69-0
Alfabeta NameTRIFLUOROMETHYLPYRIDINECARBOXYLICACID 52()---
MDL NumberMFCD04113632
Synonym 5-(三氟甲基)吡啶-2-甲酸 5-三氟甲基吡啶-2-羧酸
Chemical Name Translation5-三氟甲基吡啶-2-羧酸
PubChem Substance ID253661610
Reaxys-RN9479482
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分类

  • {SNA} Building Blocks, C7, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids
  • Building Blocks, C7 to C18, C7 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Signal word Warning
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
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；
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

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
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl 三氟甲基
  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. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C7 to C18 - Pyridines
  1. C7 to C8 - Pyridines
  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. Pyridine Acids
  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. Pyridines 吡啶

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