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HomeProduct name list1-Phenyltetrazole-5-thiol

1-Phenyltetrazole-5-thiol

Synonym(s):1-Phenyl-5-mercaptotetrazole;1-Phenyltetrazoline-5-thione;5-Mercapto-1-phenyltetrazole

  • CAS NO.:86-93-1
  • Empirical Formula: C7H6N4S
  • Molecular Weight: 178.21
  • MDL number: MFCD00003129
  • EINECS: 201-710-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-29 11:48:30
1-Phenyltetrazole-5-thiol Structural

What is 1-Phenyltetrazole-5-thiol?

Chemical properties

white fluffy or crystalline powder or crystals

The Uses of 1-Phenyltetrazole-5-thiol

1-Phenyl-1H-tetrazole-5-thiol is used as a corrosion inhibitor and as a reagent in the synthesis of Microcarpalide, a microfilament disrupting agent that is weakly cytotoxic to mammalian cells.

Definition

ChEBI: 1-Phenyl-5-mercaptotetrazole is a member of tetrazoles.

What are the applications of Application

1-Phenyl-1H-tetrazole-5-thiol is an effective inhibitor of aluminum corrosion in 1M HCl solution. It 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 metallated tetradecyl sulfone. It is also used in the spectrophotometric determination of Pt and Bi.

Synthesis Reference(s)

Canadian Journal of Chemistry, 44, p. 2315, 1966 DOI: 10.1139/v66-347

Synthesis

Sodium azide, 0.79 g (12.1 mmol), and 1.65 g (12.1 mmol) of ZnCl2 were added to 30 mL of MeCN. The mixture was heated with stirring until boiling (80 °C), and then 1 g (10.1 mmol) of allyl isothiocyanate was added. The reaction mixture was stirred for 1 h at 80 °C, and the solvent was then removed in a vacuum. The residue was treated with 5% aqueous NaOH (50 mL) with stirring for 20 min. The suspension was filtered, and the filtrate was treated with chloroform (2×10 mL) to remove impurities. The aqueous layer was acidified with conc. HCl to pH 1. The formed precipitate was filtered off, washed with water, and dried in air to afford 1-Phenyltetrazole-5-thiol. Yield 1.31 g(99%), colorless crystals.
1-Phenyltetrazole-5-thiol

Purification Methods

Purify the tetrazole by recrystallisation from EtOH or CHCl3 (m 152o) [Tautomerism: Kauer & Sheppard J Org Chem 32 3580 1967, UV: Leiber et al. Can J Chem 37 563 1959]. The ammonium salt crystallises from EtOH and decomposes at 176o. The sodium salt crystallises from EtOH/*C6H6, melts at 96o and decomposes at 145o [Stollé J Prakt Chem [2] 133 60 1932]. It is used for the determination of Bi and Pd. [Fresenius Z Anal Chem 261 151 1972, Beilstein 26 III/IV 2065.]

Properties of 1-Phenyltetrazole-5-thiol

Melting point: 145 °C (dec.)(lit.)
Boiling point: 342°C (rough estimate)
Density  1.3046 (rough estimate)
refractive index  1.5500 (estimate)
Flash point: 138°C
storage temp.  Store at +15°C to +25°C.
solubility  ethanol: soluble5%, clear, colorless to faintly yellow
pka -3.85±0.20(Predicted)
form  Solid
color  White to Off-White
PH 3-5 (H2O, 20℃)suspension
Water Solubility  Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.
Sensitive  Air Sensitive
BRN  139068
CAS DataBase Reference 86-93-1(CAS DataBase Reference)
NIST Chemistry Reference 1H-tetrazole-5-thiol, 1-phenyl-(86-93-1)
EPA Substance Registry System 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl- (86-93-1)

Safety information for 1-Phenyltetrazole-5-thiol

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H228:Flammable solids
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1-Phenyltetrazole-5-thiol

InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N

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