4-(1H-1,2,4-Triazol-1-yl)benzoic acid

Basic Information

View in Editor

CAS Number

162848-16-0

Molecular Formula

C9H7N3O2

Molecular Weight

189.17 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

Basic Physical Properties

Melting Point

318 °C

Flash Point

210.3℃

SMILES

View in Editor

C1=CC(=CC=C1C(=O)O)N2C=NC=N2

InChI

InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)

InChIKey

FOMQQGKCPYKKHQ-UHFFFAOYSA-N

LogP

0.9654999999999998

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

214

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

4-[1,2,4]Triazol-1-yl-benzoicacid
BDBM105191
ZRS
4-(1,2,4-triazol-1-yl)benzoic acid
FT-0616470
Benzoic acid,4-(1H-1,2,4-triazol-1-yl)-
4-(1H-1,2,4-Triazol-1-yl)benzoic acid, AldrichCPR
CS-W002957
F3099-6578
AKOS000260613
HMS1781N05
SDCCGMLS-0066011.P001
W-205913
Z85936777
4-(1H-1,2,4-Triazol-1-yl)benzoic Acid
SY003207
4-[1,2,4]Triazol-1-yl-benzoic acid
Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-
DTXSID10353059
4-(1H-1,2,4 triazol-1yl)benzoic acid
BP-10777
4-(1H-1,2,4-triazol-1-yl)-benzoic acid
YSWG080
4-(1,2,4triazol-1-yl)benzoic acid
EN300-12928
162848-16-0
PS-4293
MFCD02682060
SCHEMBL327641
FOMQQGKCPYKKHQ-UHFFFAOYSA-N
AC-2872

MDL Number

MFCD02682060

Customs Code

2933990090

FAQ

What is 4-(1H-1,2,4-Triazol-1-yl)benzoic acid (CAS: 162848-16-0)?

4-(1H-1,2,4-Triazol-1-yl)benzoic acid, also known as 4-(1H-1,2,4-triazol-1-yl)benzoic acid, is a compound with the CAS number 162848-16-0. It is an organic compound with a triazole ring attached to a benzene ring. This compound is odorless and is commonly used in pharmaceuticals and research due to its antimicrobial properties.

What are the main uses of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid (CAS: 162848-16-0)?

4-(1H-1,2,4-Triazol-1-yl)benzoic acid is primarily used in the pharmaceutical industry for its antimicrobial and antifungal properties. It is also utilized in research for synthesizing other compounds and in the development of new drugs. Additionally, it can be found in some consumer products for its fungicidal and antiseptic effects.

Is 4-(1H-1,2,4-Triazol-1-yl)benzoic acid (CAS: 162848-16-0) safe?

4-(1H-1,2,4-Triazol-1-yl)benzoic acid is generally considered safe for use in pharmaceuticals and research when handled with proper precautions. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and ensuring adequate ventilation. Exposure to high concentrations or prolonged contact may cause skin irritation or other health issues. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should 4-(1H-1,2,4-Triazol-1-yl)benzoic acid (CAS: 162848-16-0) be stored?

4-(1H-1,2,4-Triazol-1-yl)benzoic acid 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 moisture absorption. Store it at room temperature (15-25°C) and protect it from humidity to maintain its stability. Avoid storing it near incompatible materials such as strong acids or reducing agents.