Isopropyl trifluoroacetate | CAS No. 400-38-4

Q: What are the physical and chemical properties of Isopropyl trifluoroacetate (CAS: 400-38-4)?

Isopropyl trifluoroacetate (CAS: 400-38-4) is a colorless liquid with a molecular weight of approximately 142.13 g/mol. It has a high boiling point of around 81.5°C and low solubility in water. This compound exhibits moderate reactivity, particularly with bases, forming trifluoroacetamide and isopropyl alcohol. It is used in various applications requiring its stability and specific functional groups.

Q: How is Isopropyl trifluoroacetate (CAS: 400-38-4) typically synthesized?

Isopropyl trifluoroacetate (CAS: 400-38-4) is usually synthesized via a nucleophilic substitution reaction between trifluoroacetyl chloride and isopropanol. Commonly, triethylamine is used as a base, and the reaction is carried out under anhydrous conditions to achieve a yield of about 75-85%. The reaction is known for its high selectivity and can be performed under mild conditions without the need for additional catalysts.

Q: What industries use Isopropyl trifluoroacetate (CAS: 400-38-4)?

Isopropyl trifluoroacetate (CAS: 400-38-4) is primarily utilized in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and is also used in the formulation of certain polymer coatings and adhesives. Additionally, it is employed in analytical chemistry for derivatization reactions and as a reagent in organic synthesis.

Q: What precautions should be taken when handling Isopropyl trifluoroacetate (CAS: 400-38-4)?

When handling Isopropyl trifluoroacetate (CAS: 400-38-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully, and the material safety data sheet (MSDS) should be referenced for detailed spill procedures. Exposures can lead to irritation and should be avoided. Always ensure proper storage in a cool, dry, and well-ventilated environment away from incompatible materials.

Isopropyl trifluoroacetate

Basic Information

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CAS Number

400-38-4

Molecular Formula

C5H7F3O2

Molecular Weight

156.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

<-78°C

Boiling Point

73°C

Flash Point

-8.9±0.0 ºC,

Refractive Index

1.3165 (589.3 nm 24 ºC)

SMILES

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CC(C)OC(=O)C(F)(F)F

InChI

InChI=1S/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3

InChIKey

ASAXRKSDVDALDT-UHFFFAOYSA-N

LogP

1.5003000000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

127

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Isopropyl trifluoroacetate
Isopropyl 2,2,2-trifluoroethanoate
SCHEMBL826905
2,2,2-trifluoroacetic acid propan-2-yl ester
iso-propyl trifluoroacetate
NS00030710
Q-102545
Trifluoroacetic acid, isopropyl ester
FT-0627467
400-38-4
EINECS 206-922-1
A824862
isopropyltrifluoroacetate
Acetic acid, trifluoro-, 1-methylethyl ester
1-methylethyl trifluoroacetate
CS-0154177
DTXSID80193060
propan-2-yl 2,2,2-tris(fluoranyl)ethanoate
AMY3618
Prop-2-yl trifluoroacetate
AKOS005064006
propan-2-yl 2,2,2-trifluoroacetate
Trifluoroacetic Acid Isopropyl Ester
D92522
Isopropyl 2,2,2-trifluoroacetate
MFCD00013566
FS-4011
T1761
1,1,1-TRIFLUOROISOPROPYL ACETATE
ISOPROPYL TRIFLUOROACETATE
TRIFLUOROACETIC ACID ISOPROPYL ESTER

MDL Number

MFCD00013566

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Isopropyl trifluoroacetate (CAS: 400-38-4)?

Isopropyl trifluoroacetate (CAS: 400-38-4) is a colorless liquid with a molecular weight of approximately 142.13 g/mol. It has a high boiling point of around 81.5°C and low solubility in water. This compound exhibits moderate reactivity, particularly with bases, forming trifluoroacetamide and isopropyl alcohol. It is used in various applications requiring its stability and specific functional groups.

How is Isopropyl trifluoroacetate (CAS: 400-38-4) typically synthesized?

Isopropyl trifluoroacetate (CAS: 400-38-4) is usually synthesized via a nucleophilic substitution reaction between trifluoroacetyl chloride and isopropanol. Commonly, triethylamine is used as a base, and the reaction is carried out under anhydrous conditions to achieve a yield of about 75-85%. The reaction is known for its high selectivity and can be performed under mild conditions without the need for additional catalysts.

What industries use Isopropyl trifluoroacetate (CAS: 400-38-4)?

Isopropyl trifluoroacetate (CAS: 400-38-4) is primarily utilized in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and is also used in the formulation of certain polymer coatings and adhesives. Additionally, it is employed in analytical chemistry for derivatization reactions and as a reagent in organic synthesis.

What precautions should be taken when handling Isopropyl trifluoroacetate (CAS: 400-38-4)?

When handling Isopropyl trifluoroacetate (CAS: 400-38-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully, and the material safety data sheet (MSDS) should be referenced for detailed spill procedures. Exposures can lead to irritation and should be avoided. Always ensure proper storage in a cool, dry, and well-ventilated environment away from incompatible materials.