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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


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08-Jan-2021
30-Jan-2025
KGS
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Looking for 76-05-1 / Trifluoroacetic Acid API manufacturers, exporters & distributors?

Trifluoroacetic Acid manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Trifluoroacetic Acid API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Trifluoroacetic Acid manufacturer or Trifluoroacetic Acid supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Trifluoroacetic Acid manufacturer or Trifluoroacetic Acid supplier.

PharmaCompass also assists you with knowing the Trifluoroacetic Acid API Price utilized in the formulation of products. Trifluoroacetic Acid API Price is not always fixed or binding as the Trifluoroacetic Acid Price is obtained through a variety of data sources. The Trifluoroacetic Acid Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Trifluoroacetic Acid

Synonyms

76-05-1, Perfluoroacetic acid, Trifluoracetic acid, Trifluoroethanoic acid, 2,2,2-trifluoroacetic acid, Acetic acid, trifluoro-

Cas Number

76-05-1

Unique Ingredient Identifier (UNII)

E5R8Z4G708

About 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.

CF3COOH Manufacturers

A CF3COOH manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of CF3COOH, including repackagers and relabelers. The FDA regulates CF3COOH manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. CF3COOH API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of CF3COOH manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

CF3COOH Suppliers

A CF3COOH supplier is an individual or a company that provides CF3COOH active pharmaceutical ingredient (API) or CF3COOH finished formulations upon request. The CF3COOH suppliers may include CF3COOH API manufacturers, exporters, distributors and traders.

click here to find a list of CF3COOH suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

CF3COOH USDMF

A CF3COOH DMF (Drug Master File) is a document detailing the whole manufacturing process of CF3COOH active pharmaceutical ingredient (API) in detail. Different forms of CF3COOH DMFs exist exist since differing nations have different regulations, such as CF3COOH USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A CF3COOH DMF submitted to regulatory agencies in the US is known as a USDMF. CF3COOH USDMF includes data on CF3COOH's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The CF3COOH USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of CF3COOH suppliers with USDMF on PharmaCompass.

CF3COOH JDMF

The Pharmaceuticals and Medical Devices Agency (PMDA) established the Japan Drug Master File (JDMF), also known as the Master File (MF), to permit Japanese and foreign manufacturers of drug substances, intermediates, excipients, raw materials, and packaging materials (‘Products’) to voluntarily register confidential information about the production and management of their products in Japan.

The CF3COOH Drug Master File in Japan (CF3COOH JDMF) empowers CF3COOH API manufacturers to present comprehensive information (e.g., production methods, data, etc.) to the review authority, i.e., PMDA (Pharmaceuticals & Medical Devices Agency).

PMDA reviews the CF3COOH JDMF during the approval evaluation for pharmaceutical products. At the time of CF3COOH JDMF registration, PMDA checks if the format is accurate, if the necessary items have been included (application), and if data has been attached.

click here to find a list of CF3COOH suppliers with JDMF on PharmaCompass.

CF3COOH GMP

CF3COOH Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of CF3COOH GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right CF3COOH GMP manufacturer or CF3COOH GMP API supplier for your needs.

CF3COOH CoA

A CF3COOH CoA (Certificate of Analysis) is a formal document that attests to CF3COOH's compliance with CF3COOH specifications and serves as a tool for batch-level quality control.

CF3COOH CoA mostly includes findings from lab analyses of a specific batch. For each CF3COOH CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

CF3COOH may be tested according to a variety of international standards, such as European Pharmacopoeia (CF3COOH EP), CF3COOH JP (Japanese Pharmacopeia) and the US Pharmacopoeia (CF3COOH USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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