Trifluoro(~2~H)acetic acid

Basic Information

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CAS Number

599-00-8

Molecular Formula

C2DF3O2

Molecular Weight

115.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

-15 °C

Boiling Point

75 °C

Water Solubility

Soluble in water.

Flash Point

72°C

Refractive Index

n20/D 1.3(lit.)

SMILES

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[2H]OC(=O)C(F)(F)F

InChI

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD

InChIKey

DTQVDTLACAAQTR-DYCDLGHISA-N

LogP

0.6333000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

83.4

Safety Information

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GHS Hazard Pictograms

H314

H332

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 8 Class 8

Sensitiveness

Hygroscopic

Synonyms & References

English

Trifluoroacetic acid-d
TRIFLUOROACETIC ACID
Acetic acid-d, trifluoro-
amp
deuteriotrifluoroacetic acid
Deuteriotrifluoroacetic acid.
DEUTEROTRIFLUOROACETIC ACID
TFA-d1 (trifluoroacetic acid-d1)
Trifluoro(O-2H)acetic acid
trifluoroacetic [2H]acid
TRIFLUOROACETIC ACID D1
Trifluoroacetic acid D1 &amp
Trifluoroacetic acid-d (TFA-d)
TRIFLUOROACETIC ACID-D, 99.
Aceticacid-d, trifluoro- (6CI,7CI,8CI,9CI)
Trifluoroacetic acid (CF3COOD)
Trifluoroaceticacid-carboxy-d
Trifluoroacetic acid-d1
[2H]Trifluoroacetic acid
Acetic acid-d, 2,2,2-trifluoro-
C2HF3O2
deuterio 2,2,2-trifluoroacetate
Acetic acid-d,2,2,2-trifluoro-
TFA-d
CF3COOD
Trifluoroacetic (2H)acid
trifluoroethan(2H)oic acid
Deuteriotrifluoroacetic acid
Deuterotrifluoroacetic acid

MDL Number

MFCD00044563

FAQ

What are the physical and chemical properties of Trifluoro(~2~H)acetic acid (CAS: 599-00-8)?

Trifluoro(~2~H)acetic acid (CAS: 599-00-8) is a colorless to slightly yellow liquid with a high melting point of 52-53°C and a boiling point of 114-115°C. It has a molecular weight of 138.02 g/mol and is soluble in water and organic solvents. It is a potent Lewis acid and can readily react with basic compounds to form salts.

How is Trifluoro(~2~H)acetic acid (CAS: 599-00-8) typically synthesized?

Trifluoro(~2~H)acetic acid is typically synthesized by reacting trifluoroacetyl chloride with an alcohol or water. The reaction is carried out in the presence of a base or an acid catalyst, leading to a high yield of the desired product. The selectivity towards the desired product is generally high, making this a suitable method for industrial production.

What industries use Trifluoro(~2~H)acetic acid (CAS: 599-00-8)?

Trifluoro(~2~H)acetic acid (CAS: 599-00-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of medicinal compounds; polymers, where it can be used as a stabilizer or plasticizer; and semiconductors, where it can be employed as a cleaning agent or etchant.

What precautions should be taken when handling Trifluoro(~2~H)acetic acid (CAS: 599-00-8)?

When handling Trifluoro(~2~H)acetic acid (CAS: 599-00-8), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat, and to work within a fume hood to minimize exposure. Spills should be handled using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed guidelines on safe handling and disposal.