27996-86-7

Basic information

• Product Name: 4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE
• Synonyms: BUTTPARK 95\50-81;4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE;4-(1H-1,2,4-TRIAZOL-1-YL)BENZENECARBALDEHYDE;4-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE;4-(1h-1,2,4-triazol-1-yl)benzaldehyde, 95+%;4-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE, 95+%
• CAS NO: 27996-86-7
• Molecular Formula: C₉H₇N₃O
• Molecular Weight: 173.17
• Product Categories: Carbonyl Compounds;Heterocycles
• Mol File: 27996-86-7.mol
• Article Data: 38

Chemical Properties

• Melting Point: 147 °C
• Boiling Point: 369.169 °C at 760 mmHg
• Flash Point: 177.068 °C
• Appearance: /
• Density: 1.256 g/cm³
• Vapor Pressure: 1.21E-05mmHg at 25°C
• Refractive Index: 1.642
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: slightly sol. in Methanol
• PKA: 1.94±0.10(Predicted)
• CAS DataBase Reference: 4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE(27996-86-7)
• EPA Substance Registry System: 4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE(27996-86-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 22-24/25-36/37/39-26
• HazardClass: IRRITANT
• Hazardous Substances Data: 27996-86-7(Hazardous Substances Data)

Usage

General Description

4-(1H-1,2,4-triazol-1-yl)benzaldehyde is a chemical compound with the molecular formula C9H7N3O. It is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and dyes. 4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE is a yellow to light brown solid with a characteristic odor and is soluble in organic solvents such as ethanol and acetone. Its main applications include its use as a building block for the synthesis of various heterocyclic compounds and as a precursor in the production of active pharmaceutical ingredients. Additionally, 4-(1H-1,2,4-triazol-1-yl)benzaldehyde has been studied for its potential biological activities, such as its antimicrobial and anticancer properties.

InChI:InChI=1/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H

Upstream product

• 288-32-4 1H-imidazole 
• 459-57-4 4-fluorobenzaldehyde 
• 288-88-0 1,2,4-Triazole 
• 143426-48-6 ethyl 4-(1,2,4-triazol-1-yl)benzoate 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 143426-50-0 [4-(1H-1,2,4-triazol-1-yl)phenyl]methanol 
• 288-88-0 1,2,4-Triazole 

Downstream Products

• 575469-44-2 (E)-3-(4-(1H-1,2,4-triazol-1-yl)phenyl)acrylic acid 
• 179056-47-4 Cycloheptyl-(4-[1,2,4]triazol-1-yl-benzyl)-amine 
• 117607-01-9 6-[(E)-2-(4-[1,2,4]Triazol-1-yl-phenyl)-vinyl]-4,5-dihydro-2H-pyridazin-3-one 
• 143426-73-7 3-(4-[1,2,4]Triazol-1-yl-phenyl)-propionic acid ethyl ester 
• 139311-96-9 3-(4-[1,2,4]Triazol-1-yl-phenyl)-propionic acid hydrazide 
• 1163728-92-4 2-[4-(1H-[1,2,4]-triazol-1-yl)phenyl]-4,6-difluoro-1H-benzo[d]imidazole 
• 90514-82-2 1,2-dihydro-6-methyl-2-oxo-5-[4-(1H-1,2,4-triazol-1-yl)phenyl]-3-pyridine carbonitrile 
• 90514-77-5 1-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-propanone 
• 126937-33-5 C₁₀H₁₁N₇*HNO₃ 
• 143426-70-4 (E)-3-(4-[1,2,4]Triazol-1-yl-phenyl)-acrylic acid ethyl ester 
• 90514-74-2 1-[4-((E)-2-Nitro-propenyl)-phenyl]-1H-[1,2,4]triazole 
• 117606-94-7 (E)-4-Oxo-6-(4-[1,2,4]triazol-1-yl-phenyl)-hex-5-enoic acid 

Relevant articles and documents

Synthesis, structures, and one/two-photon excited fluorescence of two new Ca(II)-coordinated polymers with D-π-A ligand

Two alkaline-earth metal coordination polymers, [Ca(TAPIP)2(H2O)3]·2H2O (1) and [Ca(TAPIP)2(H2O)3]·5H2O (2), have been synthesized under hydrothermal reactions with th

Two novel colorimetric fluorescent probes: Hg2+ and Al3+ in the visual colorimetric recognition environment

Two new dual channel Schiff base fluorescent probes, Tri-R6G and Tri-Flu, were synthesized, and can detect Hg2+ and Al3+, respectively. The two probes were characterized by FTIR, 1H NMR, 13C NMR and HRMS, and their optical properties were detected by UV and FL. Test results showed the probes' detection of Hg2+ and Al3+ compared to other metal ions (Ag+, Co2+, Cd2+, Mg2+, Cu2+, Ni2+, Ba2+, Pb2+, Cr3+, Al3+, Zn2+, Hg2+, K+, Ga2+ and Fe3+), respectively. Besides, the detection limits were determined to be 1.61 × 10-8 M and 1.15 × 10-8 M through the standard curve plot, respectively. The photoelectron transfer (PET) mechanism was guessed by the Job's plot and the infrared titration. Corresponding orbital electron distribution and molecular geometry configurations of the compounds were predicted by density functional theory (DFT). In addition, the prepared test paper changed from white to pink when the target ion was detected. The color changed from colorless to pink in a solution having a concentration of 10-5 M.

A triazolyl quinoline copper complex having an AIE property and a preparing method thereof

A triazolyl quinoline copper complex having an AIE property and a preparing method thereof are disclosed, belonging to the technical field of metal organic complexes. The triazolyl-containing 2-substituted-8-hydroxyquinoline copper complex is synthesized,