3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Basic Information

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CAS Number

857284-23-2

Molecular Formula

C10H9N3O2

Molecular Weight

203.2 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

209 °C

SMILES

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OC(=O)c1cccc(Cn2cncn2)c1

InChI

InChI=1S/C10H9N3O2/c14-10(15)9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)

InChIKey

XIJPFLBFQZEFKY-UHFFFAOYSA-N

LogP

1.0246

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzoic acid,3-(1H-1,2,4-triazol-1-ylmethyl)-
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid
3-[1,2,4]Triazol-1-ylmethyl-benzoic acid
3-(1,2,4-triazolylmethyl)benzoic acid
3-[(1H-1,2,4-triazol-1-yl)methyl]benzoic acid

MDL Number

MFCD07186456

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2)?

3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2) falls under the classification of a pharmaceutical intermediate and is subject to various regulatory guidelines including REACH for European manufacturers, GHS for worldwide shipment and handling, and FDA/EPA requirements in the United States. Specific regulations may include safety data sheets (SDS), hazard communication standards, and SDS requirements.

Are there alternatives to 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2) in synthesis?

For synthesis purposes, there are several alternatives to 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2), such as other substituted benzoic acids or triazole derivatives. These can serve as effective substitutes depending on the specific application. Common alternatives include 2-(1H-1,2,4-Triazol-1-yl)benzoic acid or related compounds that can be synthesized using similar procedures.

What is the market or research trend for 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2)?

The market for 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2) is growing due to its applications in pharmaceuticals and other chemical industries. Research trends are focusing on its potential uses as an antimicrobial agent and its role in developing new drug candidates. Additionally, there is increasing interest in exploring its environmental and industrial applications, driving demand and research efforts.

How should waste containing 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2) be handled?

Waste containing 3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid (CAS: 857284-23-2) should be handled according to hazardous waste regulations. It is recommended to collect and store the waste in a sealed container, ensuring proper labeling and segregation. The waste should be disposed of through professional waste disposal services that are compliant with local and international environmental protection laws. Incineration or other professional disposal methods are typically employed to ensure safe and sustainable waste management.