3-Chloro-4-(trifluoromethoxy)benzoic acid

Basic Information

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CAS Number

158580-93-9

Molecular Formula

C8H4ClF3O3

Molecular Weight

240.56 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

Boiling Point

258.9±35.0 ºC (760 Torr),

Flash Point

110.4±25.9 ºC,

Refractive Index

1.498

SMILES

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C1=CC(=C(C=C1C(=O)O)Cl)OC(F)(F)F

InChI

InChI=1S/C8H4ClF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)

InChIKey

QGVQWEOEEXGRSD-UHFFFAOYSA-N

LogP

2.9368000000000007

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

244

Synonyms & References

English

Benzoic acid,3-chloro-4-(trifluoromethoxy)-
AC-26029
CS-0081118
MFCD01631556
3-Chloro-4-(trifluoromethoxy)benzoicacid
SY017563
3-chloro-4-trifluorobenzoic acid;3-Chloro-4-(trifluoromethoxy)benzoic Acid
J-512214
3-Chloro-4-(trifluoromethoxy)benzoic acid
3-chloro-4-[(trifluoromethyl)oxy]benzoic acid
EN300-198457
FT-0689413
3-CHLORO-4-TRIFLUOROMETHOXYBENZOIC ACID
AKOS015909275
A20238
CL8081
Benzoic acid, 3-chloro-4-(trifluoromethoxy)-
SCHEMBL403102
PS-7581
DTXSID30378744
158580-93-9
3-Chloro-4-(trifluoromethoxy)benzouc acid
3-chloro-4-trifluorobenzoic acid
4-Carboxy-2-chloro-alpha,alpha,alpha-trifluoroanisole
3-Chloro-4-(trifluoromethoxy)benzoic acid 97%
3-CHLORO-4-(TRIFLUOROMETHOXY)BENZOIC ACID 97+%
PubChem10176
KSC498C2J
QGVQWEOEEXGRSD-UHFFFAOYSA-N
W
SBB099318

MDL Number

MFCD01631556

Customs Code

2918990090

FAQ

What is 3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9)?

3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) is a white to off-white crystalline compound. It has a molecular formula of C9H4ClF3O3 and a molecular weight of 260.03 g/mol. This compound is characterized by its aromatic structure with a trifluoromethoxy group and a chlorine substituent.

What are the main uses of 3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9)?

3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It also finds applications in research and development for its unique chemical properties.

Is 3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) safe?

3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) is safe when handled with appropriate precautions. It is not flammable, but it should be stored away from heat and sources of ignition. Protective equipment such as gloves and goggles should be used to prevent skin and eye contact.

How should 3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) be stored?

3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS: 158580-93-9) should be stored in a cool, dry, dark place, below 25°C (77°F) and away from direct sunlight. The compound should be kept in a tightly sealed container to prevent moisture absorption and degradation.