ChemicalBook CAS DataBase List Trifluoroacetic acid

Trifluoroacetic acid

$9 - $12230

Product nameTrifluoroacetic acid
Cas No76-05-1
MFC2HF3O2
MW114.02
EINECS200-929-3
MDL NumberMFCD00004169

Price

Brand	Packaging	Price	Product name
aablocks AA02AXVA	100mg	$2584	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	250mg	$2697	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	500mg	$2809	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	1g	$2922	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	2.5g	$5629	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	5g	$8282	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
aablocks AA02AXVA	10g	$12230	ethyl 4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylate
ACHEMBLOCK AD271836	1G	$3350	5-[(2-aminoethyl)(methyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
ACHEMBLOCK AD271836	250MG	$1450	5-[(2-aminoethyl)(methyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
ACHEMBLOCK AD271836	100MG	$805	5-[(2-aminoethyl)(methyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

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Properties

Melting point	-15.4 °C (lit.)
Boiling point	72.4 °C (lit.)
Density	1.489 g/mL at 20 °C (lit.)
vapor density	3.9 (vs air)
vapor pressure	97.5 mm Hg ( 20 °C)
refractive index	n20/D 1.3(lit.)
Flash point	None
storage temp.	Store at +15°C to +25°C.
solubility	Miscible with ether, acetone, ethanol, benzene, hexane, and CCl<sub>4</sub>
pka	-0.3(at 25℃)
form	Liquid
Specific Gravity	1.480
color	Colorless
PH	1 (10g/l, H2O)
Odor	Sharp, pungent odor
PH Range	1
Water Solubility	miscible
Sensitive	Hygroscopic
λmax	λ: 260 nm Amax: 0.9 λ: 270 nm Amax: 0.10 λ: 280 nm Amax: 0.05 λ: 290 nm Amax: 0.04 λ: 300 nm Amax: 0.03 λ: 320 nm Amax: 0.025
Merck	14,9681
BRN	742035
Henry's Law Constant	5.7×10¹ mol/(m³Pa) at 25℃, Burkholder et al. (2019)
Dielectric constant	23.7（20℃）
Stability	Stable. Incompatible with combustible material, strong bases, water, strong oxidizing agents. Non-combustible. Hygroscopic. May react violently with bases.
Major Application	food and beverages
Cosmetics Ingredients Functions	pH ADJUSTERS
InChI	1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey	DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES	OC(C(F)(F)F)=O
CAS DataBase Reference	76-05-1(CAS DataBase Reference)
NIST Chemistry Reference	Acetic acid, trifluoro-(76-05-1)
EPA Substance Registry System	Acetic acid, 2,2,2-trifluoro- (76-05-1)

Safety Information

Symbol(GHS)

Signal word

Danger

Hazard statements

H290：May be corrosive to metals

H301：Toxic if swalloed

H314：Causes severe skin burns and eye damage

H332：Harmful if inhaled

H412：Harmful to aquatic life with long lasting effects

Precautionary statements

P234：Keep only in original container.

P261：Avoid breathing dust/fume/gas/mist/vapours/spray.

P264：Wash hands thoroughly after handling.

P264：Wash skin thouroughly after handling.

P270：Do not eat, drink or smoke when using this product.

P271：Use only outdoors or in a well-ventilated area.

P273：Avoid release to the environment.

P280：Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331：IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353：IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P363：Wash contaminated clothing before reuse.

P390：Absorb spillage to prevent material damage.

P405：Store locked up.

P406：Store in corrosive resistant/… container with a resistant inner liner.

P501：Dispose of contents/container to..…

Description

Trifluoroacetic acid (TFA, molecular formula: CF3COOH) is a kind of colorless, volatile and fuming liquid with a similar odor as acetic acid. It is hygroscopic and has irritating odor. It has strong acidic property due to being affected by the electron-attracting trifluoromethyl group with its acidicity being 100000 higher than acetic acid. It has a melting point being-15.2 ℃, boiling point being 72.4 ℃, and the density being 1.5351g/cm3 (1℃). It is miscible with water, fluorinated hydrocarbons, methanol, ethanol, ethyl ether, acetone, benzene, carbon tetrachloride, and hexane; it is partially soluble in carbon disulfide and alkane containing more than six carbons. It is an excellent solvent of protein and polyester. It is also a good solvent for the organic reaction which allows obtaining certain results which are difficult in the cases of application of common solvents. For example, when quinolone is being catalyzed for hydrogenation in a common solvent, the pyridine ring is preferentially hydrogenated; in contrast, the benzene ring will be preferentially hydrogenated in the presence of trifluoroacetic acid as the solvent. Trifluoroacetic acid is decomposed into carbon dioxide and fluorine in the presence of aniline. It can be reduced by sodium borohydride or lithium aluminum hydride into trifluoroacetic acetaldehyde and trifluoro-ethanol. It is stable at temperature higher than 205 ℃ stable. But its ester and amides derivatives are easily subject to hydrolysis which allows them to prepare carbohydrate, amino acids, and peptide derivative in the form of acid or anhydride. It is easily to be dehydrated under action of phosphorus pentoxide and be converted to trifluoroacetic anhydride.
Trifluoroacetic acid is a kind of important intermediates of fat fluorine. Owing to the special structure of trifluoromethyl, it has a different property from other alcohols and can participate in a variety of organic reactions, especially being used in the field of the synthesis of fluorine-containing pharmaceutical, pesticides and dyes. Its domestic and foreign demand is increasing and has become one of the important intermediates for fluorine-containing fine chemicals.

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