Ethyl 2,3,4,5-tetrafluorobenzoate

Basic Information

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CAS Number

122894-73-9

Molecular Formula

C9H6F4O2

Molecular Weight

222.14 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 Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

88°C/13mmHg

Flash Point

95 ºC

Refractive Index

1.4440

SMILES

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CCOC(=O)C1=CC(=C(C(=C1F)F)F)F

InChI

InChI=1S/C9H6F4O2/c1-2-15-9(14)4-3-5(10)7(12)8(13)6(4)11/h3H,2H2,1H3

InChIKey

SBHMXBYMQZRRLC-UHFFFAOYSA-N

LogP

2.4197000000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

236

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Benzoic acid, 2,3,4,5-tetrafluoro-, ethyl ester
MFCD02094158
2,3,4,5-Tetrafluoro-benzoic acid ethyl ester
SCHEMBL2001481
Ethyl 2,3,4,5-Tetrafluoro Benzoate
AS-9424
Ethyl 2,3,4,5-tetrafluorobenzoate
H10766
2,3,4,5-tetrafluorobenzoic acid ethyl ester
DTXSID30379014
FT-0642991
AKOS007930429
CS-0196608
AC-11520
A804990
122894-73-9
J-004870
SBHMXBYMQZRRLC-UHFFFAOYSA-N
T2094
2,3,4,5-TETRAFLUORO-BENZOIC ACID ETHYL ESTER
RARECHEM AL BI 0650
2,3,4,5-Tetrafluorobenzoic Acid Ethyl Ester
Ethyl 2H-tetrafluorobenzoate
ethy-2,3,4,5-tetrafluorobenzoate
5-Tetrafluoro-benzoic acid ethyl ester
Benzoic acid,2,3,4,5-tetrafluoro-, ethyl ester
PubChem4072
Ethyl2,3,4,5-Tetrafluorobenzoate
SBB063087
ethyl 2,3,4,5-tetrakis(fluoranyl)be
ETHYL 2,3,4,5-TETRAFLUOROBENZOATE

MDL Number

MFCD02094158

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9)?

Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9) is a crystalline solid with a molecular weight of approximately 262.07 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong reducing agents. It is used in the synthesis of various fluorinated compounds and as an intermediate in pharmaceuticals.

How is Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9) typically synthesized?

Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9) is typically synthesized by the esterification of 2,3,4,5-tetrafluorobenzoic acid with ethanol in the presence of a catalytic amount of a strong acid like sulfuric acid. The reaction is carried out under mild conditions, and the product is purified by recrystallization from a suitable solvent.

What industries use Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9)?

Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of active pharmaceutical ingredients. It is also used in the polymer industry for the preparation of fluorinated polymers and in the semiconductor industry as a precursor for fluorinated organics used in microelectronics.

What precautions should be taken when handling Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9)?

When handling Ethyl 2,3,4,5-tetrafluorobenzoate (CAS: 122894-73-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate spill response materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.