Synthesis
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5-Phenyltetrazole

Synthesis
Product Name
5-Phenyltetrazole
CAS No.
18039-42-4
Chemical Name
5-Phenyltetrazole
Synonyms
5-PHENYL-1H-TETRAZOLE;phenyltetrazole;5-PT;5-PHENYL-2H-TETRAZOLE;ma1623;MA 1623;expandex5pt;AKOS B016094;kempore50xpt;-1H-tetrazoL
CBNumber
CB9703557
Molecular Formula
C7H6N4
Formula Weight
146.15
MOL File
18039-42-4.mol
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5-Phenyltetrazole Property

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

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,
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TCI Chemical
Product number
P1109
Product name
5-Phenyltetrazole
Purity
>99.0%(HPLC)
Packaging
25g
Price
$27
Updated
2024/03/01
TCI Chemical
Product number
P1109
Product name
5-Phenyltetrazole
Purity
>99.0%(HPLC)
Packaging
100g
Price
$76
Updated
2024/03/01
Alfa Aesar
Product number
B25664
Product name
5-Phenyl-1H-tetrazole, 99%
Packaging
25g
Price
$53.2
Updated
2024/03/01
Alfa Aesar
Product number
B25664
Product name
5-Phenyl-1H-tetrazole, 99%
Packaging
100g
Price
$124
Updated
2024/03/01
TCI Chemical
Product number
P1109
Product name
5-Phenyltetrazole
Purity
>99.0%(HPLC)
Packaging
500g
Price
$221
Updated
2024/03/01
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5-Phenyltetrazole Chemical Properties,Usage,Production

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

Preparation Products

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5-Phenyltetrazole Suppliers

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View Lastest Price from 5-Phenyltetrazole manufacturers

Hebei Saisier Technology Co., LTD
Product
5-Phenyltetrazole 18039-42-4
Price
US $6.00/KG
Min. Order
1KG
Purity
More than 99%
Supply Ability
2000KG/Month
Release date
2024-04-15
Hebei Saisier Technology Co., LTD
Product
5-Phenyltetrazole 18039-42-4
Price
US $6.00/KG
Min. Order
1KG
Purity
More than 99%
Supply Ability
2000KG/Month
Release date
2024-04-16
Hebei Mujin Biotechnology Co.,Ltd
Product
5-Phenyltetrazole 18039-42-4
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-09-06

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