4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid 3,3-双(三氟甲基)-3-羟基丙酸

CAS 1547-36-0 MFCD00040910

化学结构图

1547-36-0
SMILES: O=C(O)CC(O)(C(F)(F)F)C(F)(F)F

化学属性

Mol. FormulaC5H4F6O3
Mol. Weight226.07
Melting Point85 °C
TSCANo

别名和识别编码

Chemical Name4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CAS Number1547-36-0
Alfabeta NameBISTRIFLUOROMETHYLHYDROXYPROPIONICACID 333()---,
MDL NumberMFCD00040910
Synonym 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid {} {} {} {} {} {} {} {
Beilstein Registry Number1911706
Chemical Name Translation3,3-双(三氟甲基)-3-羟基丙酸
InChIKeyNOHJBOWARMTILE-UHFFFAOYSA-N
Wiswesser Line NotationFXFFXQ1VQXFFF
LabNetwork Molecule IDLN00116670
PubChem Substance ID15244
InChIInChI=1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)
Canonical SMILESC(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O
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安全信息

Warnings IRRITANT
RTECSET4800000
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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupIII
UN Number 3261 UN3261
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
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
Hazard Codes C,Xi
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,1215,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,1215,1970

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/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。
  • 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
  • P301+P330+P331
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

其他信息

  • MOL 文件:1547-36-0.mol
  • 4,4,4-三氟-3-羟基-3-(三氟甲基)丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L09516 4,4,4-三氟-3-羟基-3-(三氟甲基)丁酸,97% 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid, 97% 5g 1946元 2010/05/25 L09516 4,4,4-三氟-3-羟基-3-(三氟甲基)丁酸,97% 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid, 97% 1g 585元
  • Alfa Aesar:4,4,4-三氟-3-羟基-3-(三氟甲基)丁酸,97% 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid, 97%(1547-36-0)
  • Hazard Note:Corrosive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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