Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate 2-氨基-4-三氟甲基噻唑-5-甲酸乙酯

CAS 344-72-9 MFCD00153147

化学结构图

344-72-9
SMILES: CCOC(=O)c1sc(N)nc1C(F)(F)F

化学属性

Mol. FormulaC7H7F3N2O2S
Mol. Weight240.20
Melting Point170°C
Boiling Point329.7°C at 760 mmHg

别名和识别编码

Chemical NameEthyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate
CAS Number344-72-9
Alfabeta NameETHYLAMINOTRIFLUOROMETHYLTHIAZOLECARBOXYLATE 24135()-------,
MDL NumberMFCD00153147
Chemical Name Translation2-氨基-4-三氟甲基噻唑-5-甲酸乙酯
Synonym 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Amino-4-(trifluo
InChIKeyXJRPTMORGOIMMI-UHFFFAOYSA-N
Wiswesser Line NotationT5N CSJ BZ DMVO2 EXFFF
Beilstein Registry Number4810691
LabNetwork Molecule IDLN00117440
PubChem Substance ID67656
InChIInChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)
Canonical SMILESO=C(C1=C(C(F)(F)F)N=C(N)S1)OCC
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分类

  • {KO} AminesPrimary
  • {KO} Esters

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • 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;
  • 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;
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
RTECSXJ3675000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,142,1954

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
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.....
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
1
LogP
1

其他信息

  • 储运特性:库房通风低温干燥
  • 急性毒性:静脉-小鼠LDL0:75 毫克/公斤
  • MOL 文件:344-72-9.mol
  • 毒性分级:高毒
  • Hazard Note:Irritant
  • 可燃性危险特性:可燃;高温产生有毒氮氧化物和硫氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • Sigma Aldrich:344-72-9(sigmaaldrich)
  • 类别:有毒物品

系列性分类


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