Ethyl 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylate 1-甲基-3-三氟甲基-1H-吡唑-4-羧酸乙酯

CAS 111493-74-4 MFCD02083398

化学结构图

111493-74-4
SMILES: CCOC(=O)C1=CN(C)N=C1C(F)(F)F

化学属性

Mol. FormulaC8H9F3N2O2
Mol. Weight222
Melting Point60-61
Density1.422
TSCANo

别名和识别编码

Chemical NameEthyl 1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylate
CAS Number111493-74-4
Alfabeta NameETHYLMETHYLTRIFLUOROMETHYLPYRAZOLECARBOXYLATE H1314()-------
MDL NumberMFCD02083398
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Chemical Name Translation1-甲基-3-三氟甲基-1H-吡唑-4-羧酸乙酯
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分类

  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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
Precautionary statements
  • 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

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
3
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. 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

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