Pentafluorophenol 2,3,4,5,6-五氟苯酚(PFP-OH)

CAS 771-61-9 MFCD00002156

化学结构图

771-61-9
SMILES: Oc1c(F)c(F)c(F)c(F)c1F

化学属性

TSCAT
Density1.75
Refractive index1.4270
Solubility可溶
Stability对空气和湿度敏感
Mol. FormulaC6HF5O
Mol. Weight184.06
Flash Point72°C
Appearance colorless solid
Boiling Point146.3°C at 760 mmHg
Melting Point34-36°C

别名和识别编码

Chemical NamePerfluorophenol
Alfabeta NamePENTAFLUOROPHENOL
Synonym Pentafluorophenol {LY} Pentafluorophenol pentafluorophenol {} {LY} Pentafluorophenol {} {} {LY} Pentafluorophenol {} {} {} {LY} Pentafluorophenol {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentafluorophenol {} {} {} {} {} {}
EC Number212-235-8
Beilstein Registry Number1912584
PubChem Substance ID13041
Chemical Name Translation2,3,4,5,6-五氟苯酚(PFP-OH)
Reaxys-RN1912584
Wiswesser Line NotationQR BF CF DF EF FF
LabNetwork Molecule IDLN00010829
InChIInChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
MDL NumberMFCD00002156
CAS Number771-61-9
Canonical SMILESOC1=C(F)C(F)=C(F)C(F)=C1F
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分类

  • {SA} Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Chemistry, Peptide Coupling, Synthetic Reagents
  • {SNA} Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Chemistry, Peptide Coupling, Synthetic Reagents
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

产品应用

  • 多肽合成中用于制备五氟苯酯

相关文献及参考

  • Short: IV/20A
  • Short: III/38B
  • Short: IV/20B
  • Widely used for peptide coupling (see Appendix 6) via the active PFP esters, generally prepared by carbodiimide coupling: Liebigs Ann. Chem., 1421 (1973); Tetrahedron Lett., 1785 (1974). With Fmoc-protected amino acids, the coupling takes place very rapidly, which reduces the amount of Fmoc-cleavage during the peptide bond formation: Synthesis, 325 (1983). Fmoc protected PFP esters have also been applied in solid phase peptide synthesis: Tetrahedron, 44, 843 (1988). PFP esters have been recommended for preparation of derivatives of heterocyclic acids, effective where DCC or DIC alone fail: Synth. Commun., 28, 753 (1998).
  • For preparation and use of the moderately stable PFP formate as a formylating agent for amines and amino acids, see: Synthesis, 510 (1987).
  • Short: IV/8A
  • Beilstein:6(4)782

安全信息

Warnings TOXIC, CORROSIVE
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
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。
  • 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+P312+P330
  • P301+P317
  • P301+P330+P331
  • P302+P352
  • P302+P352+P312+P362+P364
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • 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。
  • P316
  • 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 statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSSM6680000
Packing GroupIII
UN Number 2923
Hazard Codes 8 C;Xi Xi Xi,T,C
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C Store at room temperature Store in dark! {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 330 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 45(10),16,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 283 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   IZSBAI Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya
   Biologomeditsinskikh Nauk. (Novosibirsk, USSR)  No.1-3, 1963-68.  For
   publisher information, see ISBNBN.  Volume(issue)/page/year: 3,91,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 45(10),16,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 322 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   IZSBAI Izvestiya Sibirskogo O

其他信息

  • 用途一:医药、农药、液晶材料中间体
  • Sigma Aldrich:771-61-9(sigmaaldrich)
  • 溶于水。
  • Acros Organics:五氟苯酚 Pentafluorophenol, 99+%(771-61-9)
  • Alfa Aesar:五氟苯酚,99% Pentafluorophenol, 99%(771-61-9)
  • Hazard Note:Toxic/Irritant
  • TSCA:T
  • F:3
  • TCI Shanghai:五氟苯酚 Pentafluorophenol,>;98.0%(GC)(771-61-9)
  • MSDS 信息:Pentafluorophenol(771-61-9).msds
  • 用途二:多肽合成中用于制备五氟苯酯
  • 五氟苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0919 五氟苯酚 Pentafluorophenol 10G 501元 2014/06/02 P0919 五氟苯酚 Pentafluorophenol 25G 872元 2010/06/21 147130100 五氟苯酚 Pentafluorophenol 99+% 10 GR 589元
  • 海关编码:29081000
  • MOL 文件:771-61-9.mol
  • 图谱信息:五氟苯酚(771-61-9)质谱(MS) 五氟苯酚(771-61-9)红外图谱(IR1)

系列性分类


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