Methyl 2-Chloro-4-(Trifluoromethyl)Pyrimidine-5-Carboxylate 2-氯-4-(三氟甲基)嘧啶-5-甲酸甲酯

CAS 175137-27-6 MFCD00068146

化学结构图

175137-27-6
SMILES: COC(=O)C1C=NC(Cl)=NC=1C(F)(F)F

化学属性

Mol. FormulaC7H4ClF3N2O2
Mol. Weight240.57
Boiling Point76-78°/0.5mm
Melting PointOil (°C)
Density1.491 g/mL at 25 °C
Refractive indexn20/D 1.468

别名和识别编码

Chemical NameMethyl 2-Chloro-4-(Trifluoromethyl)Pyrimidine-5-Carboxylate
CAS Number175137-27-6
Alfabeta NameMETHYLCHLOROTRIFLUOROMETHYLPYRIMIDINECARBOXYLATE 245()-----
MDL NumberMFCD00068146
Synonym 2-氯-4-(三氟甲基)嘧啶-5-羧酸甲酯
Chemical Name Translation2-氯-4-(三氟甲基)嘧啶-5-甲酸甲酯
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrimidines
  • {KO} ReacChlorides
  • {KO} Esters

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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
Hazard statements
  • 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
Signal word Danger
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S51 Use only in well-ventilated areas 仅在通风良好的场所使用；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S22 Do not breathe dust 不要吸入粉尘；
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
  • R22 Harmful if swallowed 吞咽有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
1

系列性分类

  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. Pyrimidines 嘧啶
  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. Pyrimidines 嘧啶
  5. C6 to C8 - Pyrimidines

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