Ethyl 2-amino-4-phenylthiophene-3-carboxylate 2-氨基-4-苯基噻吩-3-羧酸乙酯

CAS 4815-36-5 MFCD00126391

化学结构图

4815-36-5
SMILES: CCOC(=O)c1c(-c2ccccc2)csc1N

化学属性

Mol. FormulaC13H13NO2S
Mol. Weight247.31
Density1.231
Melting Point92-97 °C
TSCANo
Boiling Point391 °C at 760 mmHg

别名和识别编码

Chemical NameEthyl 2-amino-4-phenylthiophene-3-carboxylate
CAS Number4815-36-5
Alfabeta NameAMINOPHENYLTHIOPHENECARBOXYLICACIDETHYLESTER 243-----
MDL NumberMFCD00126391
EC Number250-023-7
Beilstein Registry Number1429620
Synonym 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic acid ethyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-phenyl-thiophene-3-carboxylic
Chemical Name Translation2-氨基-4-苯基噻吩-3-羧酸乙酯
Wiswesser Line NotationT5SJ BZ CVO2 DR
InChIKeyWYTHTMKMOSPACP-UHFFFAOYSA-N
PubChem Substance ID73242
LabNetwork Molecule IDLN00001956
InChIInChI=1S/C13H13NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
Canonical SMILESCCOC(=O)C1=C(N)SC=C1C2=CC=CC=C2
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分类

  • {SNA} Building Blocks, C10 to C20+, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes

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;
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
  • 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
  • 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。
  • P302+P352
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • 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
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSXM8350000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 15,563,1980

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

  • MOL 文件:4815-36-5.mol
  • 检测方法:HPLC,NMR
  • 上游原料:乙醇 --> 乙酸 --> 苯 --> 硫磺 --> 氰乙酸乙酯 --> 二乙胺 --> 乙酰苯 --> 乙酸铵
  • 存储注意事项:热敏感

系列性分类


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