4-(1H-Tetrazol-5-yl)benzoic acid

Basic Information

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CAS Number

34114-12-0

Molecular Formula

C8H6N4O2

Molecular Weight

190.16 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

Basic Physical Properties

Melting Point

248-250 ºC

Boiling Point

467.5℃ at 760 mmHg

Flash Point

236.5℃

SMILES

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C1=CC(=CC=C1C2=NNN=N2)C(=O)O

InChI

InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)

InChIKey

GEKBULKUEADYRB-UHFFFAOYSA-N

LogP

0.5649

Topological Polar Surface Area

91.75999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

215

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-(4-carboxyphenyl)tetrazole
SCHEMBL1249470
4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid
NSC282009
4-(1H-1,2,3,4-tetrazol-5-yl)benzoic acid
4-(2H-tetrazol-5-yl)benzoic acid
4-(2H-Tetrazol-5-yl)-benzoic acid
34114-12-0
Benzoic acid, 4-(2H-tetrazol-5-yl)-
4-(2H-Tetrazol-5-yl)-benzoic acid, AldrichCPR
SY012311
4-(tetrazolyl)benzenecarboxylic acid
MFCD06345720
4 pound 1H-tetrazd-5-yl pound(c)benzoicacid
BS-4041
570398-56-0
DTXSID70314323
CCG-26075
NSC-282009
4-(1H-Tetrazol-5-yl)benzoicAcid
4-(1H-tetrazol-5-yl?benzoic acid
3-Morpholinone, 4-methyl-2-[(1-propyl-1H-imidazol-4-yl)methyl]-
CS-W015903
AMY36570
A6020
4-(1H-Tetrazol-5-yl)benzoic acid, AldrichCPR
Benzoic acid, 4-(1H-tetrazol-5-yl)-
Z99601150
4-(1H-tetrazol-5-yl)benzoic acid
4(1H-Tetrazol-5-yl)benzoic acid
T3917

MDL Number

MFCD06345720

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0)?

The regulatory guidelines for 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0) include GHS classification, which categorizes it as a hazardous chemical due to its potential health and environmental impacts. For manufacturing and use in the European Union, REACH regulations must be followed. In the United States, FDA and EPA have specific requirements for handling, storage, and disposal to ensure safety and compliance with environmental standards.

Are there alternatives to 4-(1H-Tetrazol-5-yl)benzoic acid in synthesis?

Yes, there are several alternatives to 4-(1H-Tetrazol-5-yl)benzoic acid in synthesis, including 5-aminotetrazole and other tetrazole derivatives. These alternatives can offer similar reactivity profiles and can be used as substituents in various organic synthesis routes. Commonly used reagents include substituted benzoic acids and other aromatic compounds that can be converted into similar functional groups.

What is the market or research trend for 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0)?

The market and research trends for 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0) are driven by its application in pharmaceuticals, particularly in the development of antiviral and anti-inflammatory drugs. There is a growing interest in its use as a precursor in the synthesis of new drugs and functional materials. Research is also focusing on its environmental stability and potential biodegradability, which could influence its future applications and market trends.

How should waste containing 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0) be handled?

Waste containing 4-(1H-Tetrazol-5-yl)benzoic acid (CAS: 34114-12-0) should be handled according to local and national regulations. Collect the waste in appropriate containers and seal them tightly. For disposal, contact a professional hazardous waste management company. Incineration is a common method, but it must be done in a controlled environment to prevent the release of harmful compounds into the environment. Additionally, ensure that all disposal methods comply with environmental protection standards to minimize ecological impact.