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HomeProduct name list5-Phenyltetrazole

5-Phenyltetrazole

  • CAS NO.:18039-42-4
  • Empirical Formula: C7H6N4
  • Molecular Weight: 146.15
  • MDL number: MFCD01451271
  • EINECS: 241-950-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:15:32
5-Phenyltetrazole Structural

What is 5-Phenyltetrazole?

Chemical properties

white to almost white crystalline powder

The Uses of 5-Phenyltetrazole

5-Phenyl-1H-tetrazole can be used as an etching solution composing metal wire layer to improve the production efficiency of panel manufacturing and cost reduction.

The Uses of 5-Phenyltetrazole

5-Phenyl-1H-tetrazole may be used as ligand in the solvothermal synthesis of 3D polyoxometalate-based silver coordination polymers. It was used in the synthesis of 5-phenyltetrazolate organolanthanide complexes. It was used to investigate the corrosion inhibition of copper in salt water.

Synthesis Reference(s)

Journal of the American Chemical Society, 80, p. 3908, 1958 DOI: 10.1021/ja01548a028
Tetrahedron Letters, 38, p. 1257, 1997 DOI: 10.1016/S0040-4039(97)00052-X
Tetrahedron, 51, p. 11737, 1995 DOI: 10.1016/0040-4020(95)00725-N

General Description

Nucleophilic substitution reactions on 1,4-dimethoxybenzene and 1,3,5-trimethoxybenzene by the anions of 5-phenyl-1H-tetrazole has been investigated by paired electrosynthesis.

Synthesis

In the presence of N,N-dimethylformamide serving as a reaction solvent, reacting raw material cyanophenyl with sodium azide and ammonium chloride to produce crude 5-phenyl-tetrazole; purifying crude 5-phenyl-tetrazole with absolute ethyl alcohol; centrifuging; and drying to obtain the finished product of 5-phenyl-tetrazole.

Properties of 5-Phenyltetrazole

Melting point: 216 °C (dec.)(lit.)
Boiling point: 255.75°C (rough estimate)
Density  1.2955 (rough estimate)
refractive index  1.6530 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO, Methanol (Slightly)
form  Crystalline Powder
pka 4.28±0.10(Predicted)
color  White to almost white
InChI InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
CAS DataBase Reference 18039-42-4(CAS DataBase Reference)
NIST Chemistry Reference 1H-Tetrazole, 5-phenyl-(18039-42-4)
EPA Substance Registry System 1H-Tetrazole, 5-phenyl- (18039-42-4)

Safety information for 5-Phenyltetrazole

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 5-Phenyltetrazole

InChIKey MARUHZGHZWCEQU-UHFFFAOYSA-N
SMILES N1=C(C2=CC=CC=C2)N=NN1

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