42770-71-8

Basic information

• Product Name: 1-BUTYL-5-MERCAPTOTETRAZOLE
• Synonyms: 1-BUTYL-5-MERCAPTOTETRAZOLE;1-Butyl-1,2,3,4-tetraaza-2-cyclopentene-5-thione
• CAS NO: 42770-71-8
• Molecular Formula: C5H10N4S
• Molecular Weight: 158.22
• Mol File: 42770-71-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 182.2°Cat760mmHg
• Flash Point: 64°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 0.821mmHg at 25°C
• Refractive Index: 1.661
• CAS DataBase Reference: 1-BUTYL-5-MERCAPTOTETRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BUTYL-5-MERCAPTOTETRAZOLE(42770-71-8)
• EPA Substance Registry System: 1-BUTYL-5-MERCAPTOTETRAZOLE(42770-71-8)

Safety Data

• Hazardous Substances Data: 42770-71-8(Hazardous Substances Data)

Usage

Usage

Commonly used as a corrosion inhibitor for copper and copper alloys in industrial and commercial applications.

Applications

Utilized in cooling systems and electronics production.

Functional Group

Contains a thiol group (-SH).

Protective Mechanism

Forms a stable and protective film on the metal surface to prevent corrosion.

Additional Use

Served as a stabilizer in the manufacturing of explosives and propellants.

Toxicity

Considered to be low-toxicity chemical.

Precautions

May cause skin and eye irritation; harmful if ingested.

Handling

Care should be taken when handling to minimize potential health risks.

InChI:InChI=1/C5H10N4S/c1-2-3-4-9-5(10)6-7-8-9/h2-4H2,1H3,(H,6,8,10)

Upstream product

• 80650-17-5 butyl-[1,2,3,4]thiatriazol-5-yl-amine 
• 6610-31-7 4-butyl-3-thiosemicarbazide 
• 592-82-5 butyl isothiocyanate 

Relevant articles and documents

The Mizoroki-Heck reaction in mesoionic 1-butyl-3-methyltetrazolium-5-olate

1-Butyl-3-methyltetrazolium-5-olate (1), a mesoionic compound, exists as a liquid at room temperature and can be used as a polar solvent for the Mizoroki-Heck reaction, wherein it has been proven to be a superior solvent to other solvents. The reaction of iodobenzene with ethyl acrylate in the presence of palladium acetate in mesoionic liquid 1 at 40 °C for 24 h gave ethyl cinnamate in 78% yield in the absence of ligands, while the use of other solvents, such as [bmim][BF4], [bmim][PF6], and DMF gave lower yields (43%, 37%, and 17%, respectively) under the same conditions. Heck-type coupling reactions of electron-deficient or electron-rich aryl iodides and bromobenzenes with olefins (15 examples, 7%–97%) were performed in 1. When a phosphine ligand was added to the reaction mixture, aryl bromides could be used, and the mesoionic liquid containing the catalysts could be reused at least five times.

A facile one-pot synthesis of 1-substituted tetrazole-5-thiones and 1-substituted 5-alkyl(aryl)sulfanyltetrazoles from organic isothiocyanates

Treatments of organic isothiocyanates (R-NCS) with NaN3 in the presence of pyridine in water at room temperature gave corresponding various organic tetrazole-thiones, [S=CN4(R)] (R = alkyl or aryl). Isolated products are obtained as white or yellow solids in good yields (76-97%). The molecular structure by X-ray diffraction study for one of products shows the proposed formation. In addition, one-pot synthesis of 1- substituted 5-alkyl(or aryl)sulfanyltetrazoles has been demonstrated. Addition of alkyl or aryl halides into the mixture of organic isothiocyanates, NaN3, and pyridine in water at room temperature exclusively formed 1- substituted 5-alkyl(or aryl)sulfanyltetrazoles (S-derivatives) in high yields.

Product and preparation of 1H-tetrazole-5-thiol derivatives

The process for preparation of and the intermediate compounds such as 1H-tetrazole-5-thiol having the formula STR1 wherein R1 is alkyl, aminoalkyl, acylaminoalkyl, aryl, alkoxycarbonylaminoalkyl, halogen-substituted aryl or alkylamino-substituted aryl and R2 is hydrogen or arakyl, preferably benzyl. The compound is produced by reacting a substituted thiosemicarbazide with an aralkyl chloride, subjecting the resultant compound to diazotization, and reacting the resultant compound with a Friedel Crafts catalyst. Optionally, this may be further hydrolyzed when R1 is aminoalkyl and/or converted to conventional salts.