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


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