2-Fluoro-5-(trifluoromethoxy)benzoic acid

Basic Information

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CAS Number

886497-85-4

Molecular Formula

C8H4F4O3

Molecular Weight

224.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

78-81℃

Boiling Point

251.9°C at 760 mmHg

SMILES

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C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)F

InChI

InChI=1S/C8H4F4O3/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)

InChIKey

CSMVUVGPLMTFIZ-UHFFFAOYSA-N

LogP

2.4225000000000003

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

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

2-Fluoro-5-(trifluoromethoxy)benzoic acid
PubChem4757
CSMVUVGPLMTFIZ-UHFFFAOYSA-N
STL555546
SBB096607
PC5896
4526AC
BBL101749
AM62558
2-Fluoro-5-trifluoromethoxy-benzoic acid
AX8074932
Benzoic acid,2-fluoro-5-(trifluoromethoxy)-
ST24040609
A20346
2-Fluoro-5-(trifluoromethoxy)benzoic acid (ACI)
SCHEMBL1697975
2-FLUORO-5-(TRIFLUOROMETHOXY)BENZOICACID
SY102233
AKOS008901301
886497-85-4
MFCD04115887
DTXSID50397336
EN300-7421497
H11808
CS-W013074
DS-12987

MDL Number

MFCD04115887

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 2-Fluoro-5-(trifluoromethoxy)benzoic acid (CAS: 886497-85-4)?

2-Fluoro-5-(trifluoromethoxy)benzoic acid is a crystalline solid with a high molecular weight. It has low water solubility and excellent solubility in organic solvents. The compound exhibits moderate reactivity, particularly in electrophilic aromatic substitution reactions. Its physical properties include a melting point of approximately 216-218°C and a molecular weight of around 287.12 g/mol.

How is 2-Fluoro-5-(trifluoromethoxy)benzoic acid (CAS: 886497-85-4) typically synthesized?

2-Fluoro-5-(trifluoromethoxy)benzoic acid can be synthesized through a Fries rearrangement of 5-(trifluoromethoxy)benzyl trifluoromethanesulfonate with fluoroacetic anhydride. The process involves the use of a Lewis acid catalyst, such as aluminum trichloride, to promote the rearrangement. The yield is typically around 60-70%, and the method is selective for the desired product.

What industries use 2-Fluoro-5-(trifluoromethoxy)benzoic acid (CAS: 886497-85-4)?

2-Fluoro-5-(trifluoromethoxy)benzoic acid is used in the pharmaceutical industry for the synthesis of medicinally active compounds. It is also applied in the polymer industry for the development of specialty polymers, and in the semiconductor industry for the fabrication of electronic materials. Additionally, it has potential applications in sensor technology.

What precautions should be taken when handling 2-Fluoro-5-(trifluoromethoxy)benzoic acid (CAS: 886497-85-4)?

When handling 2-Fluoro-5-(trifluoromethoxy)benzoic acid, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and disposal recommendations.