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Home > Encyclopedia > 1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid structure

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 

structure
  • CAS No:

    20725-34-2

  • Formula:

    C10H8BrN3O2

  • Chemical Name:

    1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

  • Synonyms:

    1H-1,2,3-Triazole-4-carboxylic acid,1-(4-bromophenyl)-5-methyl-;1H-1,2,3-Triazole-4-carboxylic acid,1-(p-bromophenyl)-5-methyl-;1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid Basic Attributes

282.09342

282.09

Characteristics

68

2.3

204-205 °C

1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid Use and Manufacturing

General procedure: To a solution of compound 7 (5 mmol) in POCl3(15 mL), a solution of compound 11 (5 mmol) in ethanol (25 mL) was added and the reaction mixture was heated under reflux for 14 h under anhydrous conditions. The solvent was distilled in vacuo, the residual mass was poured over crushed ice and the excess POCl3 was neutralized with 10% sodium bicarbonate solution. The solid thus separated was filtered, washed with 10% sodium bicarbonate solution and finally with water, dried and purified by recrystallization from ethanol to give pure compounds12a-j.

Computed Properties

Molecular Weight:282.09
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:280.97999
Monoisotopic Mass:280.97999
Topological Polar Surface Area:68
Heavy Atom Count:16
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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