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Product No: AA8904

Trifluoroacetic acid, 99%

Name: Trifluoroacetic acid
Brand: Chempure

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CAS Number

76-05-1

Molecular Weight

114.02

Formula

CF3COOH

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About this item

IUPAC name	2,2,2-trifluoroacetic acid
canonical smiles	C(=O)(C(F)(F)F)O
inchi	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
inchi key	DTQVDTLACAAQTR-UHFFFAOYSA-N
molecular formula	C2HF3O2
synonyms	Trifluoroacetic acid 76-05-1 Perfluoroacetic acid Trifluoroethanoic acid Trifluoracetic acid
Compound Description	Trifluoroacetic acid appears as a colorless fuming liquid with a pungent odor. Soluble in water and denser than water. Corrosive to skin, eyes and mucous membranes. Used to make other chemicals and as a solvent. Trifluoroacetic acid is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent, a human xenobiotic metabolite and a NMR chemical shift reference compound. It is functionally related to an acetic acid. It is a conjugate acid of a trifluoroacetate. 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.

Computed Properties

Molecular Weight:	114.02 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	113.99286376 g/mol
Monoisotopic Mass:	113.99286376 g/mol
Topological Polar Surface Area:	37.3 Å²
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 Is Canonicalized:	Yes

Related Compounds

Lactic Acid

Propionic Acid

Cysteine

Isobutyric acid

Dichloroacetic acid

Acrylic acid

Isovaleric acid

Alanine

Chloroacetic acid

Glycolic Acid

Butyric Acid

beta-Alanine

Glyoxylic acid

Pyruvic Acid

Sarcosine

hazard signal	Danger
hazard classes and categories	Met. Corr. 1 (22.45%) Acute Tox. 4 (22%) Skin Corr. 1A (100%) Eye Dam. 1 (44.67%) Acute Tox. 4 (100%) Aquatic Chronic 3 (100%) Acute toxicity - category 4 Skin corrosion - category 1A Hazardous to the aquatic environment (chronic) - category 3 Corrosive to metals - Category 1 Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 3 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Corrosives, Reactive - 1st degree Acute Tox. 4 * Skin Corr. 1A Aquatic Chronic 3
precautionary statement codes	P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501
hazard statements	H290 (22.45%): May be corrosive to metals [Warning Corrosive to Metals] H302 (22%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (44.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Corrosive to skin. Corrosive to skin, eyes, and respiratory tract. Inhalation may cause pulmonary edema. A metabolite of halothane (anesthetic) and trifluoroethanol. Unlike trifluoroethanol, trifluoroacetic acid did not produce testicular toxicity in rats at similar doses. Causes dyspnea in inhalation lethal-concentration studies of mice and rats. Causes other liver changes in 10-day oral studies of mice. Harmful by inhalation. Causes severe burns. May cause liver damage. Inhalation of high concentration may cause chemical pneumonitis. See Fluoroacetic acid.

symptoms

Inhalation Symptoms: Cough. Sore throat. Burning sensation. Laboured breathing. Skin Symptoms: Redness. Pain. Serious skin burns. Eye Symptoms: Redness. Pain. Severe deep burns. Ingestion Symptoms: Burning sensation in the throat and chest. Abdominal pain. Shock or collapse.

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2,2,2-trifluoroacetic acid
canonical smiles	C(=O)(C(F)(F)F)O
inchi	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
inchi key	DTQVDTLACAAQTR-UHFFFAOYSA-N
molecular formula	C2HF3O2
synonyms	Trifluoroacetic acid 76-05-1 Perfluoroacetic acid Trifluoroethanoic acid Trifluoracetic acid
Compound Description	Trifluoroacetic acid appears as a colorless fuming liquid with a pungent odor. Soluble in water and denser than water. Corrosive to skin, eyes and mucous membranes. Used to make other chemicals and as a solvent. Trifluoroacetic acid is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent, a human xenobiotic metabolite and a NMR chemical shift reference compound. It is functionally related to an acetic acid. It is a conjugate acid of a trifluoroacetate. 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.

Computed Properties

Molecular Weight:	114.02 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	113.99286376 g/mol
Monoisotopic Mass:	113.99286376 g/mol
Topological Polar Surface Area:	37.3 Å²
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 Is Canonicalized:	Yes

Related Compounds

Lactic Acid

Propionic Acid

Cysteine

Isobutyric acid

Dichloroacetic acid

Acrylic acid

Isovaleric acid

Alanine

Chloroacetic acid

Glycolic Acid

Butyric Acid

beta-Alanine

Glyoxylic acid

Pyruvic Acid

Sarcosine

hazard signal	Danger
hazard classes and categories	Met. Corr. 1 (22.45%) Acute Tox. 4 (22%) Skin Corr. 1A (100%) Eye Dam. 1 (44.67%) Acute Tox. 4 (100%) Aquatic Chronic 3 (100%) Acute toxicity - category 4 Skin corrosion - category 1A Hazardous to the aquatic environment (chronic) - category 3 Corrosive to metals - Category 1 Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Vapours) - Category 3 Skin corrosion/irritation - Category 1 Serious eye damage/eye irritation - Category 1 Corrosives, Reactive - 1st degree Acute Tox. 4 * Skin Corr. 1A Aquatic Chronic 3
precautionary statement codes	P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501
hazard statements	H290 (22.45%): May be corrosive to metals [Warning Corrosive to Metals] H302 (22%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (44.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Corrosive to skin. Corrosive to skin, eyes, and respiratory tract. Inhalation may cause pulmonary edema. A metabolite of halothane (anesthetic) and trifluoroethanol. Unlike trifluoroethanol, trifluoroacetic acid did not produce testicular toxicity in rats at similar doses. Causes dyspnea in inhalation lethal-concentration studies of mice and rats. Causes other liver changes in 10-day oral studies of mice. Harmful by inhalation. Causes severe burns. May cause liver damage. Inhalation of high concentration may cause chemical pneumonitis. See Fluoroacetic acid.

symptoms

Product No: AA8904

Trifluoroacetic acid, 99%

Product No: AA8904

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA8904

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?