{4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid

Basic Information

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CAS Number

317318-84-6

Molecular Formula

C21H17F4NO3S2

Molecular Weight

471.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

134.5-135.5 °C

Boiling Point

591.476°C at 760 mmHg

Flash Point

311.514°C

Solubility

Insuluble (1.4E-4 g/L) (25 ºC),

Refractive Index

1.609

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O

InChI

InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)

InChIKey

HWVNEWGKWRGSRK-UHFFFAOYSA-N

LogP

6.340540000000004

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

612

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

CHEMBL38508
4-[[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methyl]thio]-2-methylphenoxy] Acetic Acid
3tkm
HMS3649P06
AS-55910
CHEBI:79991
SB19570
AC-31447
2-{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
GW-610742
MLS006011159
Tox21_302411
EX-A2515
GW 0742
GW 610742
2-(4-(((2-(3-Fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methyl)thio)-2-methylphenoxy)acetic acid
UNII-4PZK9FJC4Z
SR-05000000447-3
GW-0742
[4-[[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methyl]thio]-2-methyl phenoxy]-acetic acid
NCGC00255420-01
GW 0742X
HMS3653P19
CS-5560
317318-84-6
CAS-317318-84-6
BDBM50127222
MFCD07369423
HY-13928
SW203822-2
D70682

MDL Number

MFCD07369423

FAQ

What is {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid (CAS: 317318-84-6)?

It is a chemical compound with the CAS number 317318-84-6, structurally described as {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid. This compound is characterized by its unique molecular structure and is used in various industries such as pharmaceuticals and research.

What are the main uses of {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid (CAS: 317318-84-6)?

The main uses of this compound include applications in pharmaceutical research for developing new drugs, as well as in chemical synthesis for producing other organic compounds. It is also utilized in the synthesis of various intermediates and reagents in the chemical industry.

Is {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid (CAS: 317318-84-6) safe?

The safety of this compound depends on proper handling and use. It is important to follow all safety guidelines, including wearing appropriate protective equipment and storing the compound in a secure, well-ventilated area away from direct sunlight and heat sources. Consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid (CAS: 317318-84-6) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Proper labeling and secure storage are essential to ensure safety and maintain the integrity of the compound.