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Chemistry

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Also known as: 76-05-1, Perfluoroacetic acid, Trifluoracetic acid, Trifluoroethanoic acid, 2,2,2-trifluoroacetic acid, Acetic acid, trifluoro-
Molecular Formula
C2HF3O2
Molecular Weight
114.02  g/mol
InChI Key
DTQVDTLACAAQTR-UHFFFAOYSA-N
FDA UNII
E5R8Z4G708

Trifluoroacetic Acid
A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.
1 2D Structure

Trifluoroacetic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2,2-trifluoroacetic acid
2.1.2 InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
2.1.3 InChI Key
DTQVDTLACAAQTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(=O)(C(F)(F)F)O
2.2 Other Identifiers
2.2.1 UNII
E5R8Z4G708
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acid, Trifluoroacetic

2. Cesium Trifluoroacetate

3. Trifluoroacetate

4. Trifluoroacetate, Cesium

2.3.2 Depositor-Supplied Synonyms

1. 76-05-1

2. Perfluoroacetic Acid

3. Trifluoracetic Acid

4. Trifluoroethanoic Acid

5. 2,2,2-trifluoroacetic Acid

6. Acetic Acid, Trifluoro-

7. Trifluoroaceticacid

8. Tfa

9. Trifluoro Acetic Acid

10. Trifluoro-acetic Acid

11. Kyselina Trifluoroctova

12. Cf3cooh

13. Acetic Acid, 2,2,2-trifluoro-

14. Trifluroacetic Acid

15. Mfcd00004169

16. Nsc 77366

17. Triflouroacetic Acid

18. Triflouro Acetic Acid

19. Water-trifluoroacetic Acid

20. Peptide Trifluoroacetic Acid

21. Acetic Acid-d, Trifluoro-

22. Wash Buffer

23. 2,2,2-trifluoro-acetic Acid

24. Dtxsid9041578

25. Chebi:45892

26. Trifluoroacetic Acid, Hplc Grade

27. E5r8z4g708

28. Nsc-77366

29. Trifluoroacetic Acid, Biochemical Grade

30. R3, Trifluoroacetic Acid

31. 0.1% Tfa In Water

32. R4a, Trifluoroacetic Acid

33. 0.1% Tfa In Acn

34. 0.1% Tfa In Acn,

35. 0.1% Trifluoroacetic Acid In Water (v/v)

36. Trifluoroacetic Acid, Reagentplus(r), 99%

37. Copper(ii) Trifluoroacetate Hydrate

38. Kyselina Trifluoroctova [czech]

39. 0.1% Trifluoroacetic Acid In Acetonitrile (v/v)

40. Einecs 200-929-3

41. Un2699

42. Ipc-pffa-2

43. Brn 0742035

44. Unii-e5r8z4g708

45. Ai3-28549

46. Trifluoraceticacid

47. Trifluoroacetyloxy

48. Trifluroaceticacid

49. Aceticacid, 2,2,2-trifluoro-

50. Trifluoressigsaure

51. Hsdb 7508

52. Trifluoressigsaeure

53. Trifloroacetic Acid

54. Trifluoroactic Acid

55. Trifiuoroacetic Acid

56. Trifluoro Aceticacid

57. Trifluoroacetic Aicd

58. Trifluoroacetic-acid

59. Trifluoroacteic Acid

60. Tri-fluoroacetic Acid

61. Acide Trifluoroacetique

62. Tri-fluoro Acetic Acid

63. Trifluoro- Acetic Acid

64. F3ccooh

65. Wln: Qvxfff

66. Perfluoro-n-ethanoic Acid

67. 123333-88-0

68. Cf3co2h

69. F3cco2h

70. Schembl474

71. 0.1% Tfa In Water,

72. 0.1% Tfa In Water;

73. Cf3c(o)oh

74. Ec 200-929-3

75. 2,2,2-trifluoracetic Acid

76. Nciopen2_000728

77. 1,1,1 Trifluoroacetic Acid

78. 2,2,2-triflouroacetic Acid

79. Trifluoroacetic Acid 99%min

80. 4-02-00-00458 (beilstein Handbook Reference)

81. 0.05% Tfa In Acn

82. Perfluoroethane Carboxylic Acid

83. 2,2,2,-trifluoroacetic Acid

84. Chembl506259

85. Amy3605

86. Trifluoroacetic Acid [ii]

87. Trifluoroacetic Acid [mi]

88. 1w70

89. Trifluoroacetic Acid [hsdb]

90. Act08924

91. Cs-b0890

92. Nsc77366

93. Zinc3860798

94. Stl264183

95. Trifluoroacetic Acid (peptide Grade)

96. Trifluoroacetic Acid, Commercial Grade

97. Akos000118999

98. Trifluoroacetic Acid (acd/name 4.0)

99. Trifluoroacetic Acid, P.a., 99.8%

100. Sb13471

101. Un 2699

102. Trifluoroacetic Acid, Analytical Standard

103. Bp-20560

104. Ds-003453

105. Ft-0645072

106. Q0053

107. T0431

108. Trifluoroacetic Acid, For Hplc, >=99.0%

109. Trifluoroacetic Acid, Peptide Synthesis Grade

110. Trifluoroacetic Acid [un2699] [corrosive]

111. Q412033

112. Acetonitrile With 0.1% Trifluoroacetic Acid (v/v)

113. Q-201877

114. Trifluoroacetic Acid, Saj Special Grade, >=99.0%

115. Trifluoroacetic Acid, Vetec(tm) Reagent Grade, 99%

116. Acetonitrile With 0.05% Trifluoroacetic Acid (v/v)

117. Trifluoroacetic Acid, >=99.995% Trace Metals Grade

118. Trifluoroacetic Acid, Uv Hplc Spectroscopic, 99.8%

119. F2190-0649

120. Trifluoroacetic Acid, Anhydrous, Zero2(tm), >=99.0%

121. Z1258948176

122. Trifluoroacetic Acid, Puriss. P.a., For Hplc, >=99.0% (gc)

123. Trifluoroacetic Acid, For Protein Sequence Analysis, >=99.5% (t)

124. Bruker Standard Solvent, For Maldi Ms, 50% Acn + 47.5% H2o + 2.5% Tfa

125. Trifluoroacetic Acid Solution, Bioreagent, Suitable For Protein Sequencing, ~25% In H2o

126. Trifluoroacetic Acid, >=99%, Purified By Redistillation, For Protein Sequencing

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 114.02 g/mol
Molecular Formula C2HF3O2
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass113.99286376 g/mol
Monoisotopic Mass113.99286376 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

To elucidate the possible role of biotransformation in 1,1,1,3,3-pentafluoropropane (HFC-245fa)-induced cardiotoxicity, the biotransformation of HFC-245fa was investigated in rats after inhalation exposure ... Male and female rats were exposed by inhalation to 50,000, 10,000, and 2,000 ppm 1,1,1,3,3-pentafluoropropane for 6 hr, urine was collected for 72 hr ... Trifluoroacetic acid and inorganic fluoride were identified as major urinary metabolites of 1,1,1,3,3-pentafluoropropane ... .

PMID:12018995 Bayer T et al; Chem Res Toxicol. 15(5):723-33 (2002)


Trifluoroacetic acid is a known human metabolite of (R)-halothane.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


API SUPPLIERS

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Faran Shimi Pharmaceutical

Iran

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Virtual BoothFaran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

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Faran Shimi Pharmaceutical

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piCHEM Forschungs- und Entwicklung...

Austria

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piCHEM Forschungs- und Entwicklung...

Austria

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INCELL CORP LLC

U.S.A

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INCELL CORP LLC

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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JDMF

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Dotatate (trifluoroacetate)

Registration Number : 303MF10074

Registrant's Address : Parkring 3, 8074 Raaba-Grambach, Austria

Initial Date of Registration : 2021-04-27

Latest Date of Registration : 2022-08-03

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Virtual BoothFaran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

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Trifluoroacetic Acid

About the Company : Faran Shimi Pharmaceutical Company, established in 2001 and affiliated with Golrang Pharmaceutical Investment Co, manufactures high-quality Active Pharmaceutical Ingredients (APIs)...

Faran Shimi Pharmaceutical Company, established in 2001 and affiliated with Golrang Pharmaceutical Investment Co, manufactures high-quality Active Pharmaceutical Ingredients (APIs) and finished dosage forms. For the past three years, the company focused on extracting alkaloid opiates, controlled substances, and narcotics. The APIs are widely used by major pharmaceutical companies nationwide and exported to the Middle East. All production adheres to local GMP standards in an SOP-driven environment with modern systems and utilities, ensuring the highest quality and safety.
Faran Shimi Pharmaceutical
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API Reference Price

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INT\\'L","customer":"MERCK GROUP","customerCountry":"INDIA","quantity":"0.22","actualQuantity":"0.222","unit":"KGS","unitRateFc":"51539.2","totalValueFC":"136.5","currency":"INR","unitRateINR":"51668","date":"26-Oct-2024","totalValueINR":"11470.3","totalValueInUsd":"136.5","indian_port":"Bombay Air","hs_no":"29159099","bill_no":"6346807","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"FRANKFURT\/MAIN INT\\'L","supplierAddress":"Frankfurter Strasse 250, 64293 Darm stadt,(BENEFICIARY MERCKFINANCIALS SERVICES GMBH) GERMANY","customerAddress":"50A , RING ROAD,"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1730140200,"product":"TRIFLUOROACETIC ACID FOR SPECTROSCOPY UVASOL 6PCS X 25ML","address":"50A , RING ROAD,","city":"BANGALORE, KARNATAKA","supplier":"MERCK LIFE SCIENCE KGAA","supplierCountry":"GERMANY","foreign_port":"FRANKFURT\/MAIN INT\\'L","customer":"MERCK GROUP","customerCountry":"INDIA","quantity":"0.22","actualQuantity":"0.222","unit":"KGS","unitRateFc":"51539.2","totalValueFC":"136.5","currency":"INR","unitRateINR":"51668","date":"29-Oct-2024","totalValueINR":"11470.3","totalValueInUsd":"136.5","indian_port":"Bombay Air","hs_no":"29159099","bill_no":"6396622","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"FRANKFURT\/MAIN INT\\'L","supplierAddress":"Frankfurter Strasse 25064293 Darmst adt Germany (BENEFICIARY MERCKFINA NCIAL SERVICES GMBH) GERMANY","customerAddress":"50A , RING ROAD,"}]
08-Jan-2021
29-Oct-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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