4-Methoxy-3-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

213598-09-5

Molecular Formula

C9H7F3O3

Molecular Weight

220.15 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

170.0 to 174.0 deg-C

Boiling Point

290.1±40.0 ºC (760 Torr),

Flash Point

129.3±27.3 ºC,

Refractive Index

1.474

SMILES

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COC1=C(C=C(C=C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H7F3O3/c1-15-7-3-2-5(8(13)14)4-6(7)9(10,11)12/h2-4H,1H3,(H,13,14)

InChIKey

VNWUPESTVBTYJM-UHFFFAOYSA-N

LogP

2.4122

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

239

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Methoxy-3-(trifluoromethyl)benzoic acid
4-methoxy-3-trifluoromethyl-benzoic acid
3-trifluoromethyl-4-methoxybenzoic acid
FT-0618885
A815289
ALPHA-AMINOISOBUTYRICACIDT-BUTYLESTER
213598-09-5
4-Methoxy-3-(trifluoromethyl)benzoic acid, AldrichCPR
DTXSID40379505
VNWUPESTVBTYJM-UHFFFAOYSA-N
4-Methoxy-3-(trifluoromethyl)benzoicacid
MFCD01091014
4-methoxy-3-trifluoromethylbenzoic acid
Benzoic acid, 4-methoxy-3-(trifluoromethyl)-
SCHEMBL615379
EN300-1654494
FS-1102
AKOS005257931
CS-W014258
M3095
AMY6495
C9H7F3O3
JRD-0913
3-Trifluoromethyl-p-anisic acid
7253AD
SBB071493
CM12845
AK306033
ST096083
Benzoic acid, 4-methoxy-3-(trif
4-methoxy-3-(trifluoromethyl)benzoic acid

MDL Number

MFCD01091014

Customs Code

2918990090

FAQ

What is 4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5)?

4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) is a chemical compound characterized by the presence of a trifluoromethyl group and a methoxy group attached to a benzene ring. It has a molecular formula of C8H4F3NO2 and is used in various applications due to its unique structural properties.

What are the main uses of 4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5)?

4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) is primarily used in pharmaceuticals for the synthesis of specific medicinal compounds. It also finds applications in analytical chemistry and as a reagent in organic synthesis due to its functional groups.

Is 4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) safe?

4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) is generally safe when handled with proper precautions. It is important to follow standard safety protocols, including wearing appropriate protective equipment and storing it in a well-ventilated area away from direct sunlight.

How should 4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) be stored?

4-Methoxy-3-(trifluoromethyl)benzoic acid (CAS: 213598-09-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent exposure to air and moisture.