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4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is a chemical compound characterized by its molecular formula C10H9N3O2. It is a member of the benzoic acid class, known for its presence in various pharmaceutical and food industry applications. 4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID features a 1,2,4-triazole ring, a five-membered heterocyclic ring with three nitrogen atoms, which endows it with unique properties for coordination chemistry and medicinal chemistry. The inclusion of a carboxylic acid group further broadens its potential for use in drug delivery systems and as a prodrug, making it a versatile molecule in the realms of chemistry, pharmaceuticals, and materials science.

160388-54-5

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160388-54-5 Usage

Uses

Used in Pharmaceutical Industry:
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is used as a building block for the synthesis of biologically active compounds due to its unique 1,2,4-triazole ring, which can be incorporated into various drug molecules to enhance their pharmacological properties.
Used in Coordination Chemistry:
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is used as a ligand for coordinating metal ions, leveraging its triazole ring to form stable complexes that can be applied in various chemical and catalytic processes.
Used in Drug Design:
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is used as a pharmacophore in drug design, where its structural features can be exploited to create new drugs with improved efficacy and selectivity.
Used in Drug Delivery Systems:
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is used as a component in the development of novel drug delivery systems, taking advantage of its carboxylic acid group to facilitate targeted and controlled release of therapeutic agents.
Used in Materials Science:
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZOIC ACID is used in the creation of new materials with specific properties, such as those with enhanced stability or reactivity, by incorporating its unique molecular structure into the material's composition.

Check Digit Verification of cas no

The CAS Registry Mumber 160388-54-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,0,3,8 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 160388-54:
(8*1)+(7*6)+(6*0)+(5*3)+(4*8)+(3*8)+(2*5)+(1*4)=135
135 % 10 = 5
So 160388-54-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H9N3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)

160388-54-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(1,2,4-triazol-1-ylmethyl)benzoic acid

1.2 Other means of identification

Product number -
Other names 4-(1,2,4-triazolylmethyl)benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:160388-54-5 SDS

160388-54-5Relevant academic research and scientific papers

Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

Xiong, Pingping,Li, Jie,Bu, Huaiyu,Wei, Qing,Zhang, Ruolin,Chen, Sanping

, p. 292 - 299 (2014/06/09)

Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu 0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L) 2(H2O)]n (4) and [Cu(L)(phen)(HCO 2)]n (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl-, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units -Cu-O-Cu-O- are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated.

FIBROSIS INHIBITOR

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, (2008/06/13)

Medicament being useful as a fibrosis inhibitor for organs or tissues, which comprises a compound of the formula (I): wherein Ring Z is optionally substituted pyrrole ring, etc.; W2 is -CO-, -SO2-, optionally substituted C1-C4 alkylene, etc.; Ar2 is optionally substituted aryl, etc.; W1 and Ar1 mean the following (1) and (2):(1) W1 is optionally substituted C1-C4 alkylene, etc.; Ar1 is optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms:(2) W1 is optionally substituted C2-C5 alkylene, optionally substituted C2-C5 alkenylene, etc.; and Ar1 is aryl or monocyclic heteroaryl, which is substituted by carboxyl, alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W1, or a pharmaceutically acceptable salt thereof.

Pyrrole derivatives

-

, (2008/06/13)

Pyrrole derivatives represented by the following formula: wherein Ring Z is an optionally substituted pyrrole ring, etc.; W2 is —CO—, —SO2—, an optionally substituted C1-C4 alkylene, etc.; Ar2 is an optionally substituted aryl, etc.; W2 and Ar1 mean the following (1) and (2): (1) W1 is an optionally substituted C1-C4 alkylene, etc.; Ar1 is an optionally substituted bicyclic heteroaryl having 1 to 4 nitrogen atoms as ring-forming atoms: (2) W1 is an optionally substituted C2-C5 alkylene, an optionally substituted C2-C5 alkenylene, etc.; and Ar1 is an aryl or monocyclic heteroaryl, which are substituted by carboxyl, an alkoxycarbonyl, etc. at the ortho- or meta-position thereof with respect to the binding position of W1, or a pharmaceutically acceptable salt thereof These compounds are useful as medicaments such as a fibrosis inhibitor for organs or tissues.

Non-steroidal antiinflammatory agents. Synthesis and enzyme inhibition of 2-[4-(heteroarylmethyl)phenyl]propanoic acids and analogues

Silvestri,Pagnozzi,Valoti,Fusi

, p. 625 - 632 (2007/10/02)

Some 2-[4-(heteroarylmethyl)phenyl]propanoic acids and phenylacetic and benzoic analogues have been synthesized. All above acids were tested for their inhibitory activity on lipoxygenase and cyclooxygenase, in comparison with NDGA and tolmetin. 2-[4-(Thie

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