ChemicalBook > CAS DataBase List > 1-Phenyltetrazole-5-thiol

1-Phenyltetrazole-5-thiol

CAS No.86-93-1
Chemical Name:1-Phenyltetrazole-5-thiol
CBNumber:CB0468297
Molecular Formula:C7H6N4S
Formula Weight:178.21
MOL File:86-93-1.mol

1-Phenyltetrazole-5-thiol Property

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
form Solid
pka -3.85±0.20(Predicted)
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
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
CAS DataBase Reference 86-93-1(CAS DataBase Reference)
FDA UNII 1PI3BD9U68
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)
UNSPSC Code 12352100

Safety

Hazard Codes :Xn,F
Risk Statements :5-22-2017/5/22
Safety Statements :22-24/25
RIDADR :UN 1325 4.1/PG 2
WGK Germany :1
RTECS :XF7700000
F :4.10
Hazard Note :Flammable
TSCA :Yes
HazardClass :4.1
PackingGroup :III
HS Code :29339990

NFPA 704:

	3
2		3

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H228-H317-H319-H413
Precautionary statements P210-P240-P273-P280-P302+P352-P305+P351+P338

1-Phenyltetrazole-5-thiol Price More Price(6)

Brand: TCI Chemicals (India)
Product number: P0640
Product name : 5-Mercapto-1-phenyl-1H-tetrazole
Purity:
Packaging: 25G
Price: ₹2500
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: P0640
Product name : 5-Mercapto-1-phenyl-1H-tetrazole
Purity:
Packaging: 100G
Price: ₹6300
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: P0640
Product name : 5-Mercapto-1-phenyl-1H-tetrazole
Purity:
Packaging: 500G
Price: ₹27400
Updated: 2022/05/26
Buy: Buy

Brand: ottokemi
Product number: P 1682
Product name : 1-Phenyl 5-mercapto tetrazole, 99%
Purity:
Packaging: 25gm
Price: ₹2295
Updated: 2022/05/26
Buy: Buy

Brand: ottokemi
Product number: P 1682
Product name : 1-Phenyl 5-mercapto tetrazole, 99%
Purity:
Packaging: 100gm
Price: ₹5679
Updated: 2022/05/26
Buy: Buy

1-Phenyltetrazole-5-thiol Chemical Properties,Usage,Production

Chemical Properties white fluffy or crystalline powder or crystals
Uses 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.
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.
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.]