3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Basic Information

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CAS Number

1092400-82-2

Molecular Formula

C10H5F3N2O3

Molecular Weight

258.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

114-117 ºC

Boiling Point

365.2°C at 760 mmHg

Flash Point

175 ºC

SMILES

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C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C(F)(F)F

InChI

InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-2-1-3-6(4-5)8(16)17/h1-4H,(H,16,17)

InChIKey

ZTOAUVQUTVRHBJ-UHFFFAOYSA-N

LogP

2.4536000000000007

Topological Polar Surface Area

76.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

324

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD09907879
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
AC-22817
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
ZB0356
3-(3-Carboxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
EN300-179518
Z1638523292
DTXSID00648966
SCHEMBL2224875
F30161
FT-0656817
1092400-82-2
CHEMBL507817
CS-0060396
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
AM85479
AKOS015918240
Benzoic acid,3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
AMBZ0327
ZTOAUVQUTVRHBJ-UHFFFAOYSA-N
1808AA
NE18738
VZ26044
FT-
ST24028313

MDL Number

MFCD09907879

Customs Code

2934999090

FAQ

What is 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2)?

3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) is an organic compound with a molecular structure that includes a trifluoromethyl group and a 1,2,4-oxadiazole ring fused to a benzene ring. It is characterized by its high reactivity and stability. This compound is used in various applications, including pharmaceuticals, as a synthesis intermediate, and in research for its unique chemical properties.

What are the main uses of 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2)?

3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) is primarily used as a synthesis intermediate in the pharmaceutical industry, where it serves as a building block for the creation of complex organic molecules. It is also utilized in research settings for its unique chemical properties and is occasionally used in industrial applications for its stability and reactivity.

Is 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) safe?

3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) is generally safe under proper handling conditions. Users should, however, take precautions such as wearing gloves and goggles to protect against skin and eye contact. Additionally, it should be stored in a cool, dry place away from direct sunlight and heat sources to minimize the risk of degradation or reaction.

How should 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) be stored?

3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CAS: 1092400-82-2) should be stored in a dry, cool place, away from direct sunlight and heat sources to maintain its stability. It is recommended to store it in a tightly sealed container to prevent moisture and light exposure. Adequate ventilation is also necessary to avoid the risk of explosive reactions under certain conditions.