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

1-Phenyltetrazole-5-thiol

Product Name
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
Formula Weight
178.21
MOL File
86-93-1.mol
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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
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
InChIKey
GGZHVNZHFYCSEV-UHFFFAOYSA-N
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)
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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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H228Flammable solid

H317May cause an allergic skin reaction

H319Causes serious eye irritation

H413May cause long lasting harmful effects to aquatic life

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P240Ground/bond container and receiving equipment.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

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

1-Phenyltetrazole-5-thiol Preparation Products And Raw materials

Raw materials

Sodium azide Phenyl isothiocyanate

Preparation Products

Cefazolin Cefoperazone Cefazolin sodium salt
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View Lastest Price from 1-Phenyltetrazole-5-thiol manufacturers

Asia Chem I and E (Jiangsu) Co Ltd
Product
1-Phenyl-5-mercaptotetrazole 86-93-1
Price
US $154.20/Kg/Drum
Min. Order
25Kg/Drum
Purity
99.00%HPLC
Supply Ability
1ton/month
Release date
2023-03-14
Hebei Weibang Biotechnology Co., Ltd
Product
1-Phenyltetrazole-5-thiol 86-93-1
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-12-03
Hebei Weibang Biotechnology Co., Ltd
Product
1-Phenyltetrazole-5-thiol 86-93-1
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-29

86-93-1, 1-Phenyltetrazole-5-thiolRelated Search:

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