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5-Phenyltetrazole

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CAS:18039-42-4
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5-Phenyltetrazole manufacturers

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5-Phenyltetrazole Basic information
Synthesis
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;Heterocyclic Building Blocks;Miscellaneous;Building Blocks;Heterocyclic Building Blocks;Tetrazoles
Mol File:18039-42-4.mol
5-Phenyltetrazole Structure
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)
pka4.28±0.10(Predicted)
form Crystalline Powder
color White to almost white
InChIInChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChIKeyMARUHZGHZWCEQU-UHFFFAOYSA-N
SMILESN1=C(C2=CC=CC=C2)N=NN1
CAS DataBase Reference18039-42-4(CAS DataBase Reference)
NIST Chemistry Reference1H-Tetrazole, 5-phenyl-(18039-42-4)
EPA Substance Registry System1H-Tetrazole, 5-phenyl- (18039-42-4)
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
Toxicitymouse,LD50,oral,890mg/kg (890mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0570992,
MSDS Information
ProviderLanguage
5-Phenyl-1H-tetrazole English
SigmaAldrich English
ACROS English
ALFA English
5-Phenyltetrazole Usage And Synthesis
Synthesis5-Phenyltetrazole can be prepared by reacting benzonitrile with hydrazine or hydrazine salt, and then reacting with nitrous acid.
Chemical Propertieswhite to almost white crystalline powder
Uses5-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.
Uses5-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.
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 DescriptionNucleophilic 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 materialsBenzonitrile
Tag:5-Phenyltetrazole(18039-42-4) Related Product Information
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