2-(2H-1,2,3-Triazol-2-yl)benzoic acid

Basic Information

View in Editor

CAS Number

1001401-62-2

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

SMILES

View in Editor

OC(=O)c1ccccc1n2nccn2

InChI

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

InChIKey

UTENUPFWBIFKPW-UHFFFAOYSA-N

LogP

0.9654999999999998

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

216

Synonyms & References

English

2-(triazol-2-yl)benzoic Acid
Benzoic acid, 2-(2H-1,2,3-triazol-2-yl)-
2-(2H-1,2,3-triazol-2-yl)benzoic acid
2-(2H-1,2,3-triazol-2-yl)-benzoic acid
(2-(2H-1,2,3-triazol-2-yl)phenyl)carboxylic acid
2-(2H-[1,2,3]triazol-2-yl)benzoic acid
2-(2H-1,2,3-triazol-2-yl)benzoyc acid
2-(2H-1,2,3-triazol-2-yl)benzoyl acid
2-[1,2,3]triazol-2-yl-benzoic acid
C-8708
PB15449
SureCN1586233
Benzoic acid, 2-(2H-1,2,3...
UTENUPFWBIFKPW-UHFFFAOYSA-N
FCH1218109
AK170418
2-[1,2,3]-Triazol-2-yl-benzoic acid
AM20020065

MDL Number

MFCD20486491

FAQ

What are the physical and chemical properties of 2-(2H-1,2,3-Triazol-2-yl)benzoic acid (CAS: 1001401-62-2)?

2-(2H-1,2,3-Triazol-2-yl)benzoic acid is a solid crystalline compound with a molecular weight of approximately 265.22 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong bases to form sodium salts. It also shows reactivity towards amine compounds.

How is 2-(2H-1,2,3-Triazol-2-yl)benzoic acid (CAS: 1001401-62-2) typically synthesized?

2-(2H-1,2,3-Triazol-2-yl)benzoic acid is typically synthesized through a multi-step process, including the formation of a triazole ring using 1,2,3-triazole, followed by coupling with benzoic acid. Common synthetic routes involve the use of palladium catalysts and may require protective groups for functional group compatibility. The overall yield is around 75-85%.

What industries use 2-(2H-1,2,3-Triazol-2-yl)benzoic acid (CAS: 1001401-62-2)?

2-(2H-1,2,3-Triazol-2-yl)benzoic acid is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the polymer industry as a stabilizer and in the development of advanced materials. Additionally, it is utilized in sensor technology for detecting certain chemical species and in semiconductor manufacturing as a dopant.

What precautions should be taken when handling 2-(2H-1,2,3-Triazol-2-yl)benzoic acid (CAS: 1001401-62-2)?

When handling 2-(2H-1,2,3-Triazol-2-yl)benzoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.