trifluoroacetic acid

• ChemBase ID: 99496
• Molecular Formular: C2HF3O2
• Molecular Mass: 114.0233496
• Monoisotopic Mass: 113.99286393
• SMILES: FC(F)(F)C(=O)O
• Canonical SMILES: OC(=O)C(F)(F)F
• InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetic acid
• IUPAC Traditional name: trifluoroacetic acid
• Synonyms: TFA; Trifluoroacetic acid 99.5%; Trifluoroacetic acid, biochemical grade 99.9%; Trifluoroacetic acid, purified S.P; Peptide trifluoroacetic acid; Trifluoroacetic acid solution; Trifluoroacetic acid, HPLC Grade; 2,2,2-Trifluoroacetic acid; Trifluoroacetic acid, biochemical grade; 1,1,1-Trifluoroacetic acid; Trifluoroethanoic acid; Perfluoroacetic acid; Trifluoracetic acid; TRIFLUOROACETIC ACID; TRIFLUOROACETIC ACID, HPLC GRADE; TRIFLUOROACETIC ACID, CERTIFIED GRADE; Trifluoroacetic acid; 三氟乙酸 溶液; 三氟乙酸, HPLC级; 三氟乙酸, 生化级; 三氟乙酸

Database IDs

• CAS Number: 76-05-1
• EC Number: 200-929-3
• MDL Number: MFCD00004169
• Beilstein Number: 5446934; 742035
• Merck Index: 149681
• PubChem SID: 24900359; 24858046; 162085761; 24900380; 24886475; 24858228; 24886694; 24889533; 24889531; 24865666
• PubChem CID: 6422
• CHEBI ID: 45892
• CHEMBL: 506259
• Chemspider ID: 10239201
• Unique Ingredient Identifier: E5R8Z4G708
• Wikipedia Title: Trifluoroacetic_acid

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 13.6539 cm^3
• Polarizability: 5.227252 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: miscible in water; Miscible with ether, acetone, ethanol, benzene, hexane, CCl4
• Apperance: colorless liquid; Liquid
• Melting Point: -15°C; -15.4 °C(lit.); -15.4°C; -15°C
• Boiling Point: 72°C; 72.4 °C(lit.); 72.4°C; 72-73°C; 72-74°C
• Flash Point: -3 °C; none°C
• Density: 1.478 g/mL at 25 °C (exp. value); 1.48; 1.480; 1.480 g/ml; 1.489; 1.489 g/cm^3, 20 °C; 1.489 g/mL at 20 °C(lit.)
• Refractive Index: 1.284; 1.2840; n20/D 1.3(lit.)
• Vapor Pressure: 97.5 mmHg ( 20 °C)
• Vapor Density: 3.9 (vs air)
• Absorption Wavelength: λ: 260 nm Amax: ≤0.9; λ: 260 nm Amax: 0.9; λ: 270 nm Amax: ≤0.1; λ: 270 nm Amax: 0.1; λ: 270 nm Amax: 0.10; λ: 280 nm Amax: ≤0.05; λ: 280 nm Amax: 0.05; λ: 290 nm Amax: ≤0.04; λ: 290 nm Amax: 0.04; λ: 300 nm Amax: ≤0.03; λ: 300 nm Amax: 0.03; λ: 320 nm Amax: ≤0.025; λ: 320 nm Amax: 0.025
• pKa: 0.23
• Transmittance: 265 nm, ≥20%; 305 nm, ≥75%; 320 nm, ≥90%

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Corrosive; Corrosive/Harmful/Hygroscopic/Store under Argon; Corrosive/Toxic; Hygroscopic; Toxic/Corrosive
• RTECS: AJ9625000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 2699; 2966; UN2699
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 1; I
• Australian Hazchem: 2X
• Risk Statements: 20-35-52/53; R:20-35-52/53; R20 R35 R52/53
• Safety Statements: 9-26-27/28-45-61; 9-26-27-28-45-61; S:9-26-27-28-45-61; S9 S26 S27 S28 S45 S61
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: Highly corrosive
• NFPA704:
  

  1

  3

  1
• GHS Hazard statements: H314-H332-H412; H314-H412
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2699 8/PG 1
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥98.0% (T); ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.5% (T); 95+%; 99%; 99.5%; 99.5+%; 99.8% (alkalimetric)
• Concentration: ~25% in H2O
• Grade: analytical standard; CHROMASOLV®; eluent additive for LC-MS; eluent additive for UHPLC-MS; for HPLC; for protein sequence analysis; for UV-spectroscopy; HPLC; LC-MS Ultra; puriss. p.a.; purum; ReagentPlus®; SAJ special grade; SPECTRANAL™
• Suitability: corresponds to standard for RP gradient test; in accordance for sequence analysis test; passes test for IR spectroscopy; passes test for LC-MS; passes test for suitability for UV spectroscopy; passes test for UHPLC-MS; suitable for protein sequencing
• Evaporation Residue: <0.005%
• Impurities: <0.05% water; <0.050% water; ≤0.005% non-volatile matter; ≤0.05% water; ≤0.05% water (Karl Fischer)
• Cation Traces: Ag: ≤0.02 mg/kg; Al: ≤0.05 mg/kg; Ba: ≤0.05 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.2 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.05 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.3 mg/kg; K: ≤0.1 mg/kg; Li: ≤0.02 mg/kg; Mg: ≤0.5 mg/kg; Mn: ≤0.05 mg/kg; Mo: ≤0.02 mg/kg; Na: ≤0.5 mg/kg; NH4+: ≤10 mg/kg; Ni: ≤0.05 mg/kg; Pb: ≤0.02 mg/kg; Sr: ≤0.02 mg/kg; Tl: ≤0.05 mg/kg; Zn: ≤0.05 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfite (SO32-): ≤10 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: redistillation
• Type: for protein sequencing
• λ: 1 cm path, H2O reference; H2O reference; in H2O, 1 cm path
• Product Line: BioReagent
• Linear Formula: CF3COOH

DETAILS

MP Biomedicals - 02152166

Anhydrous
Free Acid
Suitable for protein sequencing

Apollo Scientific Ltd - PC7160

Strong organic acid widely used to cleave N-BOC & t-butyl ester groups in peptide synthesisAsk for a bulk quote. Packaged in Safebreak bottles

Apollo Scientific Ltd - PC8841

Suitable for protein sequence analysis. Suitable for protein sequence analysis

Apollo Scientific Ltd - PC7161A

Plastic coated bottle with tamper evident cap. Packaged in Safebreak bottles

Apollo Scientific Ltd - PC7160A

Plastic coated bottle with tamper evident cap. Packaged in Safebreak bottles

Apollo Scientific Ltd - PC7161

Suitable for protein sequence analysisAsk for a bulk quote. Packaged in Safebreak bottles

Sigma Aldrich - 73645

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 14264

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 91700

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 91709

Packaging
Special 40 ml packaging for direct use in common sequencers.

Sigma Aldrich - 40967

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - T6508

Other Notes
在对 PVDF 膜的蛋白质或肽进行测序时,影响 TFA 输送方向的改变1。
包装
1, 10, 5×10 amp in ampule
1, 2 L in glass bottle
25, 100, 500 mL in glass bottle
5 mL in glass bottle
6.5, 10×10 mL in ampule
火封的安瓿装量为 1ml。其他规格使用螺纹盖瓶包装。
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 91699

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 299537

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Packaging
25, 100, 500 g in glass bottle
50 mL in glass bottle

Sigma Aldrich - 09653

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Packaging
Amber glass bottles volume 60 mL, diameter x height 39 x 94 mm, cap size 20-400.

Sigma Aldrich - T62200

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Packaging
100, 500 g in glass bottle
2.5 kg in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 74564

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 91707

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Packaging
package with 10x1mL

Sigma Aldrich - 302031

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Packaging
1 L in glass bottle
100 mL in glass bottle
10×1 mL in ampule
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 91703

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 30-4310

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.

Sigma Aldrich - 34957

Other Notes
The effect of changing the direction of TFA delivery when sequencing proteins or peptides from PVDF membranes1.
Legal Information
SPECTRANAL is a trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

• 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).
• 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).
• 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).
• 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).
• 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 borohydride, 13432. For use in the ionic hydrogenation, see Triethylsilane, A10320.