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1-Phenyltetrazole-5-thiol

CAS No.
86-93-1
Chemical Name:
1-Phenyltetrazole-5-thiol
Synonyms
1-PHENYL-1H-TETRAZOLE-5-THIOL;PMT;1-PHENYL-5-MERCAPTOTETRAZOLE;1-PHENYL-5-MERCAPTO-1,2,3,4-TETRAZOLE;1H-Phenyltetrazole-5-thiol;1-Phenyl-1H-tetrazol-5-thiol;5-MERCAPTO-1-PHENYLTETRAZOLE;Phenyl-5-Mercapto-1H-Tetrazole;5-MERCAPTO-1-PHENYL-1H-TETRAZOLE;1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione
CBNumber:
CB0468297
Molecular Formula:
C7H6N4S
Molecular Weight:
178.21
MDL Number:
MFCD00003129
MOL File:
86-93-1.mol
Last updated:2023-11-30 09:48:43

1-Phenyltetrazole-5-thiol Properties

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)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Danger
Hazard statements  H228-H317-H319-H413
Precautionary statements  P210-P240-P273-P280-P302+P352-P305+P351+P338
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
4.10
Hazard Note  Flammable
TSCA  Yes
HazardClass  4.1
PackingGroup  III
HS Code  29339990
NFPA 704
3
2 3

1-Phenyltetrazole-5-thiol price More Price(23)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 169897 1-Phenyl-1H-tetrazole-5-thiol 98% 86-93-1 25G $60 2023-01-07 Buy
TCI Chemical P0640 5-Mercapto-1-phenyl-1H-tetrazole >98.0%(HPLC)(T) 86-93-1 25g $59 2024-03-01 Buy
TCI Chemical P0640 5-Mercapto-1-phenyl-1H-tetrazole >98.0%(HPLC)(T) 86-93-1 100g $163 2024-03-01 Buy
Alfa Aesar A12656 1-Phenyl-1H-tetrazole-5-thiol, 99% 86-93-1 25g $43.8 2024-03-01 Buy
Alfa Aesar A12656 1-Phenyl-1H-tetrazole-5-thiol, 99% 86-93-1 100g $155 2024-03-01 Buy
Product number Packaging Price Buy
169897 25G $60 Buy
P0640 25g $59 Buy
P0640 100g $163 Buy
A12656 25g $43.8 Buy
A12656 100g $155 Buy

1-Phenyltetrazole-5-thiol Chemical Properties,Uses,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.
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.]

103-72-0
86-93-1
Synthesis of 1-Phenyltetrazole-5-thiol from Phenyl isothiocyanate
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View Lastest Price from 1-Phenyltetrazole-5-thiol manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1-Phenyl-5-mercaptotetrazole pictures 2024-04-23 1-Phenyl-5-mercaptotetrazole
86-93-1
US $154.20 / Kg/Drum 25Kg/Drum 99.00%HPLC 1ton/month Asia Chem I and E (Jiangsu) Co Ltd
1-Phenyltetrazole-5-thiol pictures 2023-09-06 1-Phenyltetrazole-5-thiol
86-93-1
US $0.00 / KG 1KG 99% 50000KG/month Hebei Mojin Biotechnology Co., Ltd
1-Phenyltetrazole-5-thiol pictures 2023-09-06 1-Phenyltetrazole-5-thiol
86-93-1
US $0.00 / KG 1KG 99% 500000kg Hebei Guanlang Biotechnology Co., Ltd.
1-PHENYL-5-MERCAPTO-1H-TETRAZOLE 1-PHENYL-1H-1,2,3,4-TETRAAZOLE-5-THIOL 1-PHENYL-2-TETRAZOLINE-5-THIONE TIMTEC-BB SBB007594 1H-TETRAZOLE, 1-PHENYL-5-THIOL 5H-Tetrazole-5-thione,1,2-dihydro-1-phenyl- 5-Mercapto-1-phenyltetrazol Mercaptophenyltetrazole Phenylmercaptotetrazole Phenyltetrazolethiol 1-PHENYL-5-MERCAPATO-1H-TETRAZOLE 1-Phenyl-5-mercapto 5H-TETRAZOLE-5-THIONE,1,2-DIHYDRO-1-PHENYL-(9CI) 1-Phenyl-5-mercaptotetrazole, 1-Phenyltetrazoline-5-thione, 5-Mercapto-1-phenyltetrazole 1-Phenyl-1H-tetrazole-5-thiol ,99% 4-Phenyl-1H-tetrazole-5(4H)-thione 1-Phenyl-1H-tetrazole-5-thiol,98% 1-phenyl-1H-1,2,3,4-tetrazole-5-thiol 1-Phenyl-1H-tetrazole-5-thiol, 1-Phenyl-5-sulphanyl-1H-tetrazole 1-Phenyl-5-thio-1H-tetrazole 1-Phenyltetrazol-5-thiol 1-Phenyltetrazole-5- 1-Phenyl-5-mercapto-1H-tetrazole 1-Phenyl-1H-tetrazole-5-thiol 5-Mercapto-1-phenyl-1H-tetrazole 1-phenyl-1h-tetrazole-5-thio 1-phenyl-1tetrazole-5-thiol 1-Phenyl-5-tetrazolethione 1-Phenyltetrazolethiol 1-Phenyltetrazoline-5-thiol 1-Phenyl-5-mercaptotetrazole≥ 99.5% (HPLC) 5-MERCAPTO-1-PHENYL-1,2,3,4-TETRAZOLE 1,2-dihydro-1-phenyl-5h-tetrazole-5-thion 1,2-dihydro-1-phenyl-5H-Tetrazole-5-thione 1-phenyl-5mercapto terazatle 1-Phenyltetrazole-5-thiol 1-PHENYLTETRAZOLINE-5-THIONE 1-PHENYL-5-MERCAPT-1H-TETRAZOLE 1-Phenyl-1H-tetrazole-5-thiol, 99%, for synthesis 5-Mercapto-1-phenyl-1H-tetrazole> 1-Phenyltetrazole-5-thio 1-PHENYL-5-MERCAPTOTETRAZOLE 1-PHENYL-1H-TETRAZOLE-5-THIOL PMT 1-PHENYL-1H-TETRAZOLE-5-THIOL*PHOTOGRAPH IC GRADE Phenyl-5-Mercapto-1H-Tetrazole 1-Phenyl-1H-tetrazol-5-thiol 1H-Phenyltetrazole-5-thiol 5-MERCAPTO-1-PHENYL-1H-TETRAZOLE 5-MERCAPTO-1-PHENYLTETRAZOLE 1-PHENYL-5-MERCAPTO-1,2,3,4-TETRAZOLE 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione 1-phenyl-2H-tetrazole-5-thione 1-Phenyl-1H-tetrazole-5(2H)-thione 86-93-1 89-93-1 C7H6N4S Analytical Chromatography Product Catalog Analytical Reagents