2-Acetoxy-4-Trifluoromethylbenzoic Acid 三氟醋柳酸

CAS 322-79-2 MFCD00866793

化学结构图

322-79-2
SMILES: CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O

化学属性

Mol. FormulaC10H7F3O4
Mol. Weight248
SolubilityDMSO 50 mg/mL Water <1 mg/mL Ethanol 50 mg/mL
Melting Point113.0 to 117.0 deg-C

别名和识别编码

Chemical Name2-Acetoxy-4-Trifluoromethylbenzoic Acid
CAS Number322-79-2
Synonym 2-(Acetyloxy)-4-(trifluoromethyl)benzoic Acid 2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid 2-(acetyloxy)-4-(trifluoromethyl)-benzoicaci 2-(acetyloxy)-4-(trifluoromethyl)benzoicacid 2-Acetoxy-4-trifluoromethylbenzoic acid 2-acetoxy-4-trifluoromethylbenzoic acid 2-乙酰氧基-4-三氟甲基苯甲酸 20070316 3-acetoxy-alpha,alpha,alpha-trifluoro-p-toluic acid 4-CRESOTIC ACID, ALPHA,ALPHA,ALPHA-TRIFLUORO- ACETATE, 99+% 4-Trifluoromethylsalicylic acid acetate 4-cresoticacid,alpha,alpha,alpha-trifluoro-acetate 4-trifluoromethylsalicylicacidacetate Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)- Disgren TRIFLUOROTRIMESICACID TRIFLUSAL Triflusal UR 1501 alpha,alph alpha,alpha,alpha-Trifluoro-2,4-creosotic acid acetate
EC Number206-297-5
MDL NumberMFCD00866793
Chemical Name Translation三氟醋柳酸
Wiswesser Line NotationFXFFR DVQ COV1
Beilstein Registry Number2945374
Reaxys-RN2945374
Merck Number9688
PubChem Substance ID9458
LabNetwork Molecule IDLN00189377
InChIInChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
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分类

  • Aromatics
  • Drug Analogues
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • An analog of Aspirin; inhibits platelet aggregation. Antithrombotic.

相关文献及参考

  • Morell, J., et al.: Therapie, 32, 337 (1977),
  • Rutllant, M., et al.: Curr. Ther. Res., 22, 510 (1977),

安全信息

Storage condition 0-10°C 储存温度-20°C
RTECSGP4250000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 437 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,225,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 402 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,225,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 380 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,225,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 217 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,225,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
GHS Symbol
Signal word
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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P337+P313
  • 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
  • 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.....

其他信息

  • MOL 文件:322-79-2.mol

系列性分类

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