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Merck
CN

169897

1-Phenyl-1H-tetrazole-5-thiol

98%

Synonym(s):

1-Phenyl-5-mercaptotetrazole, 1-Phenyltetrazoline-5-thione, 5-Mercapto-1-phenyltetrazole

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About This Item

Empirical Formula (Hill Notation):
C7H6N4S
CAS Number:
86-93-1
Molecular Weight:
178.21
EC Number:
201-710-5
UNSPSC Code:
12352100
PubChem Substance ID:
24850277
Beilstein/REAXYS Number:
139068
MDL number:
MFCD00003129
Assay:
98%
Form:
powder

Key Documents

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InChI key

GGZHVNZHFYCSEV-UHFFFAOYSA-N

InChI

1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)

SMILES string

Sc1nnnn1-c2ccccc2

assay

98%

form

powder

mp

145 °C (dec.) (lit.)

solubility

ethanol: soluble 5%, clear, colorless to faintly yellow

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Application

1-Phenyl-1H-tetrazole-5-thiol was used in the synthesis of oxacyclic building blocks via highly stereoselective radical cyclization and olefin metathesis reactions. It was also used in the synthesis of metalated tetradecyl sulfone.

General description

1-Phenyl-1H-tetrazole-5-thiol is an effective inhibitor of aluminum corrosion in 1M HCl solution.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Aquatic Chronic 4 - Eye Irrit. 2 - Flam. Sol. 1 - Skin Sens. 1

Storage Class

4.1A - Other explosive hazardous materials

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

监管及禁止进口产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCC1175
MKBX3851V
MKBV5002V
MKBN4543V
MKBJ2789V

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A formal synthesis of 3-O-(4-methoxybenzyl)-azidosphingosine by a modified Julia olefination.
Compostella F, et al.
Tetrahedron, 58(22), 4425-4428 (2002)
The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: Chemical, electrochemical and theoretical studies.
Khaled KF and Al-Qahtani MM.
Materials Chemistry and Physics, 113(1), 150-158 (2009)
Mohammad M Khodaei et al.
The Journal of organic chemistry, 73(7), 2527-2532 (2008-03-05)
In the presence of 1-phenyl-5-mercaptotetrazole as a nucleophile, electrochemical oxidations of 1,2- and 1,4-dihydroxybenzenes have been investigated in aqueous solution using cyclic voltammetry and controlled-potential coulometry. The voltammetric results indicate that an electrooxidative/Michael-type sequential reaction occurs between the mercaptide anion
Total synthesis of ambruticin.
Eun Lee et al.
Angewandte Chemie (International ed. in English), 41(1), 176-178 (2002-12-20)
J Kejha et al.
Ceskoslovenska farmacie, 39(7), 294-298 (1990-09-01)
For the investigation of new anti-inflammatory drugs, 1-phenyl-5-mercaptotetrazole (I) was selected as the principal structure. The purpose itself lay in an alkylation of the mercapto group with different remainders. In some cases at the same time a substituent was introduced
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