Ethyl 4-Hydroxy-2-(Trifluoromethyl)Pyrimidine-5-Carboxylate 4-羟基-2-(三氟甲基)嘧啶-5-甲酸乙酯

CAS 343-67-9 MFCD01571344

化学结构图

343-67-9
SMILES: CCOC(=O)c1cnc(C(F)(F)F)nc1O

化学属性

Mol. FormulaC8H7F3N2O3
Mol. Weight236.15
Melting Point315-316 °C
Density1.422
Boiling Point220.8°C at 760 mmHg

别名和识别编码

Chemical NameEthyl 4-Hydroxy-2-(Trifluoromethyl)Pyrimidine-5-Carboxylate
CAS Number343-67-9
Alfabeta NameETHYLHYDROXYTRIFLUOROMETHYLPYRIMIDINECARBOXYLATE 425()-----
MDL NumberMFCD01571344
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation4-羟基-2-(三氟甲基)嘧啶-5-甲酸乙酯
PubChem Substance ID5063336
InChIInChI=1S/C8H7F3N2O3/c1-2-16-6(15)4-3-12-7(8(9,10)11)13-5(4)14/h3H,2H2,1H3,(H,12,13,14)
LabNetwork Molecule IDLN00150100
Synonym Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Eth
Canonical SMILESO=C(C1=CN=C(C(F)(F)F)N=C1O)OCC
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分类

  • {KO} HeteroArylOH
  • {KO} Esters

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S3/7/9 Keep container tightly closed in a cool, well-ventilated place 将容器严格密闭保存在阴凉、通风良好场所；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R48 Danger of serious damage to health by prolonged exposure 长期接触有严重损害健康的危险
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。
  • P403+P404+P235
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
5
Rotatable Bonds
3
LogP
2

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

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