neoFroxx® Trifluoroacetic Acid for LC-MS, CAS: 76-05-1

Name: neoFroxx® Trifluoroacetic Acid for LC-MS, CAS: 76-05-1
Brand: neoFroxx
SKU: LC-11105
Price: 72.5 EUR
Availability: InStock

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LC-11105

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Category: Organische Säuren

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Product number	Size	Delivery Time	Price	Qty
LC-11105.3	10 x 2.5 ml	In stock	Price on request plus VAT & Shipping	Out of stock
LC-11105.1	50 ml	In stock	€72.50 plus VAT & Shipping
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Basic description

Synonyms	Trifluoroacetic Acid; Trifluoroacetic acid; 76-05-1; Perfluoroacetic acid; Trifluoroethanoic acid
Molecular Formula (for pure substance)	C2HF3O2
Uses (for pure substance)	Used in synthesis of organic chemicals; [Merck Index] Used as a laboratory reagent, solvent, and catalyst; [HSDB] Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
CAS Number	76-05-1
PubChem CID	6422
PubChem SID	481107666

Trifluoroacetic acid is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent and a human xenobiotic metabolite. It is functionally related to an acetic acid. It is a conjugate acid of a trifluoroacetate.

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Names and identifiers

Chemical and physical properties

Boiling Point (for pure substance)	72.4 °C
Melting Point (for pure substance)	-15.4 °C
Solubility (for pure substance)	Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane.
Density (for pure substance)	1.531 at 20 °C
Vapor Density (for pure substance)	Relative vapor density (air = 1): 3.9
Vapor Pressure (for pure substance)	Vapor pressure, kPa at 20Â °C: 11
Color and Form (for pure substance)	Liquid
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	113.99286376
Monoisotopic Mass	113.99286376
Topological Polar Surface Area	37.3
Heavy Atom Count	7
Formal Charge	0
Complexity	83.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1
Compound Canonicalized	1

IUPAC Name	2,2,2-trifluoroacetic acid
InChI	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey	DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES	C(=O)(C(F)(F)F)O
UN Number	UN2699

neoFroxx® Trifluoroacetic Acid for LC-MS, CAS: 76-05-1

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