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Merck
CN

371599

1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol

97%

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About This Item

Empirical Formula (Hill Notation):
C7H6N4OS
CAS Number:
52431-78-4
Molecular Weight:
194.21
UNSPSC Code:
12352100
PubChem Substance ID:
24863117
EC Number:
257-909-2
MDL number:
MFCD00132898
Assay:
97%

Key Documents

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Product Name

1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol, 97%

InChI key

MOXZSKYLLSPATM-UHFFFAOYSA-N

InChI

1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)

SMILES string

Oc1ccc(cc1)-n2nnnc2S

assay

97%

mp

170 °C (dec.) (lit.)

solubility

methanol: soluble 25 mg/mL, clear (colorless to pink to purple)

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Application

1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol may be used in the synthesis of organotin(IV) complexes.

General description

1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol is a heterocyclic thionate. Iodimetric determination of 1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol in alkaline medium, via volumetric titration with potentiometric end-point detection is reported. Coordination chemistry of 1-(4-hydroxyphenyl)-1H-tetrazole-5-thiol as ligand, having deprotonated heterocyclic thioamide group, has been reported.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBF3959V
STBF3991V
STBF3545V
10018AY

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Iodimetric titration of sulfur compounds in alkaline medium.
Ciesielski W and Zakrzewski R.
Chem. Anal. (Warsaw), 51(5), 653-653 (2006)
Hydrogen bonding and p-p stacking interaction in the coordination of sulfur and nitrogen donor heterocycle to organotin (IV): syntheses and crystal structures of di-and triorganotin (IV) derivatives with 1-(4-hydroxyphenyl)-1< i> H</i>-tetrazole-5-thiol.
Ma C and Sun J.
Polyhedron, 23(9), 1547-1555 (2004)
Potentiometric titration of triazolethiols and tetrazolethiols with iodine in alkaline medium.
Ciesielski W and Krenc A.
Collection of Czechoslovak Chemical Communications, 67(8), 1193-1199 (2002)
Syntheses and Structural Characterization of Triorganotin Derivatives of 3-Mercapto-4-methyl-4H-1, 2, 4-triazol:
Ma C, et al.
Journal of Inorganic and Organometallic Polymers and Materials, 16(2), 139-145 (2006)

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