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5-Phenyltetrazole

Basic information Synthesis Safety Supplier Related

5-Phenyltetrazole Basic information

Product Name:
5-Phenyltetrazole
Synonyms:
  • 1H-Tetrazole,1-phenyl-
  • 1-Phenyl-1H-tetrazole
  • 1-phenyltetrazole
  • 2H-Tetrazole, 5-phenyl-
  • 5-Phenyl-1H-tetraazole
  • 5-phenyl-1h-tetrazol
  • 5-phenyl-tetrazol
  • ma1623
CAS:
18039-42-4
MF:
C7H6N4
MW:
146.15
EINECS:
241-950-8
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Miscellaneous
  • Building Blocks
  • Heterocyclic Building Blocks
  • Heterocyclic Building Blocks
  • Tetrazoles
Mol File:
18039-42-4.mol
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5-Phenyltetrazole Chemical Properties

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

Hazard Codes 
Xn,Xi,F
Risk Statements 
22-44-11-36/37/38
Safety Statements 
36-37/39-26-16
RIDADR 
UN 1325 4.1/PG III
WGK Germany 
3
RTECS 
XF7538750
TSCA 
Yes
HazardClass 
IRRITANT
PackingGroup 
III
HS Code 
29339900
Toxicity
mouse,LD50,oral,890mg/kg (890mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0570992,

MSDS

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5-Phenyltetrazole Usage And Synthesis

Synthesis

5-Phenyltetrazole can be prepared by reacting benzonitrile with hydrazine or hydrazine salt, and then reacting with nitrous acid.

Chemical Properties

white to almost white crystalline powder

Uses

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.

Uses

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.

5-Phenyltetrazole Preparation Products And Raw materials

Raw materials

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