Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate 4-氨基-2-(乙硫基)嘧啶-5-羧酸乙酯

CAS 778-97-2 MFCD00047375

化学结构图

778-97-2
SMILES: CCOC(=O)c1cnc(SCC)nc1N

化学属性

Mol. FormulaC9H13N3O2S
Mol. Weight227.28
Density1.422
Melting Point104-106 °C
Boiling Point379.2 °C at 760 mmHg

别名和识别编码

Chemical NameEthyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate
CAS Number778-97-2
Synonym Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-amino-2-(ethylthio)pyrimidine-5
MDL NumberMFCD00047375
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation4-氨基-2-(乙硫基)嘧啶-5-羧酸乙酯
InChIKeyODFLPYCOQXPONS-UHFFFAOYSA-N
LabNetwork Molecule IDLN01268754
PubChem Substance ID97414
InChIInChI=1S/C9H13N3O2S/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3,(H2,10,11,12)
Canonical SMILESO=C(C1=CN=C(SCC)N=C1N)OCC
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分类

  • Heterocycles
  • Nucleotides
  • Bases & Related Reagents
  • Sulfur & Selenium Compounds

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 检测方法:HPLC
  • MOL 文件:778-97-2.mol
  • 上游原料:钠 --> 原甲酸三乙酯 --> 氰乙酸乙酯 --> 硫脲 --> 硫酸二乙酯
  • Hazard Note:Irritant
  • Sigma Aldrich:778-97-2(sigmaaldrich)

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

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