5-(4-tert-butylphenyl)-2H-tetrazole

Base Information

Chemical Name:5-(4-tert-butylphenyl)-2H-tetrazole
CAS No.:126393-38-2
Molecular Formula:C11H14 N4
Molecular Weight:202.259
Hs Code.:
DSSTox Substance ID:DTXSID70384046
Nikkaji Number:J785.284C
Wikidata:Q82175945
Mol file:126393-38-2.mol

Synonyms:126393-38-2;5-(4-tert-butylphenyl)-2H-tetrazole;5-[4-(tert-Butyl)phenyl]tetrazole;5-[4-(Tert-Butyl)Phenyl]-2H-1,2,3,4-Tetraazole;5-(4-(tert-Butyl)phenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-1,2,3,4-tetrazole;2H-Tetrazole, 5-[4-(1,1-dimethylethyl)phenyl]-;MFCD00673172;Maybridge1_008437;2H-Tetrazole,5-[4-(1,1-dimethylethyl)phenyl]-;5-(4-t-butylphenyl)-1H-tetrazole;5(4-t-butylphenyl)tetrazole;SCHEMBL270345;5-(4-t-butylphenyl)tetrazole;HMS565H11;DTXSID70384046;QHSLNQKCYGFLER-UHFFFAOYSA-N;BFA39338;5-(4-tert-Butylphenyl)-1H-tetrazole;AKOS015908912;AS-66997;SY038796;CS-0360576;FT-0619899;W18783;5-(4-(TERT-BUTYL)PHENYL)-1H-TETRAZOLE;A921906;BRD-K93836733-001-01-2

Suppliers and Price of 5-(4-tert-butylphenyl)-2H-tetrazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-[4-(tert-Butyl)phenyl]tetrazole
50mg
$ 60.00

Crysdot
5-(4-(tert-Butyl)phenyl)-2H-tetrazole 95+%
1g
$ 330.00

American Custom Chemicals Corporation
5-[4-(TERT-BUTYL)PHENYL]-2H-1,2,3,4-TETRAAZOLE 95.00%
1G
$ 637.91

American Custom Chemicals Corporation
5-[4-(TERT-BUTYL)PHENYL]-2H-1,2,3,4-TETRAAZOLE 95.00%
5G
$ 903.50

AK Scientific
5-(4-Tert-butylphenyl)-2H-tetrazole
1g
$ 802.00

Total 10 raw suppliers

Chemical Property of 5-(4-tert-butylphenyl)-2H-tetrazole

Chemical Property:

Vapor Pressure:6.57E-05mmHg at 25°C
Melting Point:193-195
Boiling Point:344.5°Cat760mmHg
PKA:4.43±0.10(Predicted)
Flash Point:152.9°C
PSA：54.46000
Density:1.127g/cm³
LogP:2.16420
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:202.121846464
Heavy Atom Count:15
Complexity:203

Purity/Quality:

97% ^*data from raw suppliers

5-[4-(tert-Butyl)phenyl]tetrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F
Statements: R11:Highly flammable.;
Safety Statements: S16:Keep away from sources of ignition - No smoking.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C2=NNN=N2

Technology Process of 5-(4-tert-butylphenyl)-2H-tetrazole

There total 4 articles about 5-(4-tert-butylphenyl)-2H-tetrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

: 4210-32-6
4-tert-butyl benzonitrile

: 126393-38-2
5-(4-t-butylphenyl)-1H-tetrazole

Guidance literature:: With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 24h;
DOI:10.1021/jo0512047

Reference yield: 65.0%

: 67-68-5,8070-53-9
dimethyl sulfoxide

: 123324-71-0
p-tert-butylphenylboronic acid

: 126393-38-2
5-(4-t-butylphenyl)-1H-tetrazole

Guidance literature:: dimethyl sulfoxide; p-tert-butylphenylboronic acid; With C₃₇H₃₅N₂O₂PPd; ammonium bicarbonate; potassium hydroxide; In water; for 2h;

With sodium azide; In water; at 90 ℃; Catalytic behavior;
DOI:10.1021/acs.joc.6b02277