[4-(Trifluoromethoxy)phenoxy]acetic acid

Basic Information

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CAS Number

72220-50-9

Molecular Formula

C9H7F3O4

Molecular Weight

236.14 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

84-86°C

SMILES

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C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)

InChIKey

QHSBEEUEIRDHCD-UHFFFAOYSA-N

LogP

2.0486

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

233

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-(4-(Trifluoromethoxy)phenoxy)aceticacid
4-trifluoromethoxyphenoxyacetic acid
Acetic acid, [4-(trifluoromethoxy)phenoxy]-
A837616
2-[4-(TRIFLUOROMETHOXY)PHENOXY]-ACETIC ACID
2-[4-(trifluoromethyloxy)phenoxy]ethanoic acid
2-[4-(trifluoromethoxy)phenoxy]acetic acid
AE-641/13516020
4-(Trifluoromethoxy)phenoxyacetic acid
[4-(trifluoromethoxy)phenoxy]acetic acid
PS-7646
(4-trifluoromethoxy-phenoxy)-acetic acid
A50573
A837454
Maybridge1_006105
SY109390
(4-Trifluoromethoxyphenoxy)-acetic acid
CS-0041702
DTXSID60351323
SCHEMBL656941
2-(4-(Trifluoromethoxy)phenoxy)acetic acid
HMS558N11
AKOS000271180
2-[4-(trifluoromethoxy)phenoxy]acetic acid;2-(4-(Trifluoromethoxy)phenoxy)acetic acid
MFCD00052352
72220-50-9
FT-0616898
2-[4-(Trifluoromethoxy)phenoxy]acetic acid
Aceticacid, [4-(trifluoromethoxy)phenoxy]- (9CI)
[4-(Trifluoromethoxy)phenoxy]aceticacid
(4-(trifluoromethoxy)phenoxy)acetic acid

MDL Number

MFCD00052352

Customs Code

2918990090

FAQ

What are the physical and chemical properties of [4-(Trifluoromethoxy)phenoxy]acetic acid (CAS: 72220-50-9)?

[4-(Trifluoromethoxy)phenoxy]acetic acid is a white crystalline solid with a molecular weight of approximately 287.05 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and chloroform. The compound exhibits acidic properties due to the carboxylic acid functional group. It is reactive under certain conditions, particularly in the presence of strong bases or reducing agents.

How is [4-(Trifluoromethoxy)phenoxy]acetic acid (CAS: 72220-50-9) typically synthesized?

[4-(Trifluoromethoxy)phenoxy]acetic acid can be synthesized by the condensation of 4-(trifluoromethoxy)phenol with acetic anhydride in the presence of a catalytic amount of sulfuric acid. The reaction is typically carried out at room temperature and involves the formation of an ester through an acylation process. The product is purified by recrystallization from ethanol or a suitable solvent.

What industries use [4-(Trifluoromethoxy)phenoxy]acetic acid (CAS: 72220-50-9)?

[4-(Trifluoromethoxy)phenoxy]acetic acid is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs due to its unique chemical structure. It also has applications in the polymer industry for the modification of polymer properties, and in the manufacturing of sensors and semiconductors for their specific performance characteristics.

What precautions should be taken when handling [4-(Trifluoromethoxy)phenoxy]acetic acid (CAS: 72220-50-9)?

When handling [4-(Trifluoromethoxy)phenoxy]acetic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.