Trifluoroacetic acid 三氟乙酸

规格: 99.9%
CAS: 76-05-1
产品编号: H25001
MDL: MFCD00004169
品牌: INFI
Chemical Name(3S)-(-)-3-(TRIFLUOROACETAMIDO)PYRROLIDINE HYDROCHLORIDE
Synonym Aceticacid,trifluoro- BUFFER A CF3COOH IPC-PFFA-2 Kyselina trifluoroctova PERFLUOROACETIC ACID Perfluoroacetic acid R3, TRIFLUOROACETIC ACID R4A, TRIFLUOROACETIC ACID RARECHEM AL BO 0421 TFA TRIFLUOROACETIC ACID TRIFLUOROACETLC ACID Trifluoracetic acid Trifluoressigs~ure Trifluoroethanoic acid WASH BUFFER kyselinatrifluoroctova trifluoraceticacid trifluoro-aceticaci trifluoroaceticacid99,5% 三氟乙酸 三氟乙酸 溶液 三氟乙酸, 99% 三氟乙酸, BIOCHEMICAL GRADE, 99.5+% 三氟乙酸,生化级 三氟乙酸(TFA) 三氟醋酸 三氟醋酸;过氟乙酸;全氟醋酸 全氟醋酸
EC Number200-929-3
Beilstein Registry Number742035
PubChem Substance ID87576383
Reaxys-RN742035
Merck Number9681
Chemical Name Translation三氟乙酸-kg
Wiswesser Line NotationQVXFFF
LabNetwork Molecule IDLN00162790
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
MDL NumberMFCD00004169
CAS Number76-05-1
GHS Symbol
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 gm/m3
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 10(3),13,1966

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 13500 mg/m3
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 10(3),13,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   AMEBA7 Annales Medicinae Experimentalis et Biologiae Fenniae.  (Helsinki,
   Finland)  V.25-51, 1947-73. For publisher information, see MDBYAS.
   Volume(issue)/page/year: 46,242,1968

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Sense O

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1650 mg/kg
SEX/DURATION            : female 10-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - hepatobiliary system
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 17,1,1996

Signal word Danger
WGK Germany2
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;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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);
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
    Risk Statements
    • R20 Harmful by inhalation 吸入有害
    • R35 Causes severe burns 会导致严重灼伤
    • R52/53
      Precautionary statements
      • P234 Keep only in original container. 只保留在原来的容器中。
      • 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。
      • 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。
      • P273 Avoid release to the environment. 避免释放到环境中。
      • 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+P330+P331+P310
      • P303+P361+P353+P310+P363
      • P304+P340+P310
      • P305+P351+P338
      • P305+P351+P338+P310
      • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
      • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
      • P405 Store locked up. 上锁保管。
      • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
      • P501 Dispose of contents/container to..… 处理内容物/容器.....
        Hazard Codes 8 C
        Hazard statements
        • H290 May be corrosive to metals 可能腐蚀金属。
        • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
        • H332 Harmful if inhaled 吸入有害
        • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
          Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
          RTECSAJ9625000
          UN Number 2699
          Storage condition Hygroscopic 密封阴凉干燥保存。 2-8°C 充氩保存
          Packing GroupI
          Hazard Class8
          Warnings 危化品目录(2015)
          Restrict 危险品
        • 三氟乙酰化试剂,聚合反应催化剂。与液体二氧化硫混和用以溶解蛋白质。分光光度分析。蛋白质顺序分析。
        • 在反相色谱分离多肽和蛋白质的实验中,使用三氟乙酸 (TFA) 作为离子对试剂是常见的手段。流动相中的三氟乙酸通过与疏水键合相和残留的极性表面以多种模式相互作用,来改善峰形、克服峰展宽和拖尾问题。
        • 三氟乙酸优于其他离子修饰剂的原因是它容易挥发,可以方便地从制备样品中除去。另一方面,三氟乙酸的紫外最大吸收峰低于 200nm ,对多肽在低波长处的检测干扰很小。
        • 三氟乙酸(TFA)是许多有机化合物的良好溶剂,如与二硫化碳合用,可溶解蛋白质。它也是有机反应的优良溶剂,可获得在一般溶剂中难以获得的结果,例如喹啉在一般溶剂中催化氢化时,吡啶环优先氢化,但在三氟乙酸中苯环优先氢化。三氟乙酸在苯胺存在下分解成氟仿和二氧化碳。
        • {ALF} With sodium nitrite, has been used for the cleavage of tosylhydrazones: Synthesis, 207 (1979); for nitrosation of anisole and derivatives, avoiding possible loss of the alkyl group: Acta Chem. Scand., 44, 152 (1990); for diazotization of weakly basic arylamines such as pentafluoroaniline or 3,5-dinitroaniline: Synthesis, 566 (1988); and in the presence of formamide, for deamination of arylamines: J. Chem. Soc., Perkin 1, 873 (1986).
        • {ALF} Carrying out the Curtius rearrangement of acyl azides in TFA leads directly to the trifluoroacetamide, which can be readily hydrolyzed to the free amine: Synthesis, 38 (1983).
        • {ALF}
        • {ALD} Merck: 14,9681
        • Beilstein: 2,IV,458
        • {ALF} Also catalyzes the cleavage of t-butyl groups from t-butylphenols, by reverse Friedel-Crafts reaction: Tetrahedron, 29, 4003 (1973). Similarly, hindered aryl ketones or aromatic carboxylic acids undergo deacylation: Synthesis, 979 (1985).
        • {ALD} Merck: 14,9681
        • {ALF} Strong organic acid, widely used in peptide synthesis to cleave N-Boc and t-butyl ester groups: Helv. Chim. Acta, 46, 870 (1963); see also Org. Synth. Coll., 9, 24, 268 (1998). For peptide reagents, see Appendix 6. For selective cleavage of Boc in the presence of Cbz (Z), using 70% TFA in water, see: Liebigs Ann. Chem., 749, 90 (1971). For selective cleavage of benzyl, benzhydryl and trityl ethers in the presence of ester functions, see: Synthesis, 249 (1983).
        • {ALFA} For use of TFA as a catalyst in the Meerwein-Ponndorf-Verley reduction, see Aluminum isopropoxide, 14007. For use in the modification of the reducing properties of borohydride, see Sodium
        • 76-05-1 H25001 Trifluoroacetic acid
三氟乙酸

          化学属性

          Refractive indexn20/D 1.3(lit.)
          TSCAYes
          SolubilityMiscible with ether, acetone, ethanol, benzene, hexane, CCl4
          Vapor Density3.9 (vs air)
          Vapor Pressure97.5 mmHg ( 20 °C)
          Flash PointNone
          Stability对湿度敏感
          Mol. FormulaC2HF3O2
          Mol. Weight114.02
          Density1.478
          Appearance colorless liq.
          Boiling Point72
          Melting Point-15