2-Chloro-4-(Trifluoromethyl)Pyridine-3-Carboxylic Acid 2-氯-4-(三氟甲基)吡啶-3-羧酸

CAS 590371-81-6 MFCD08458125

化学结构图

590371-81-6
SMILES: OC(=O)C1=C(Cl)N=CC=C1C(F)(F)F

化学属性

Mol. FormulaC7H3ClF3NO2
Mol. Weight225.55
Melting Point157-160 °C
TSCANo

别名和识别编码

Chemical Name2-Chloro-4-(Trifluoromethyl)Pyridine-3-Carboxylic Acid
CAS Number590371-81-6
Alfabeta NameCHLOROTRIFLUOROMETHYLNICOTINICACID 24()---
MDL NumberMFCD08458125
Synonym 2-氯-4-(三氟甲基)吡啶-3-羧酸 2-Chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid 2-氯-4-(三氟甲基)烟酸
Chemical Name Translation2-氯-4-(三氟甲基)吡啶-3-羧酸
PubChem Substance ID329762218
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分类

  • {KO} ReacChlorides
  • {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。
  • 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
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
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
Hazard Codes Xn

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. 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

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