62224-02-6

Basic information

• Product Name: heptane-1,7-dithiol
• Synonyms: 1,7-Heptanedithiol; Heptane-1,7-dithiol
• CAS NO: 62224-02-6
• Molecular Formula: C₇H₁₆S₂
• Molecular Weight: 164.3319
• Mol File: 62224-02-6.mol

Chemical Properties

• Boiling Point: 238.19°C at 760 mmHg
• Flash Point: 93.126°C
• Density: 0.954g/cm³
• Vapor Pressure: 0.066mmHg at 25°C
• Refractive Index: 1.496
• CAS DataBase Reference: heptane-1,7-dithiol(CAS DataBase Reference)
• NIST Chemistry Reference: heptane-1,7-dithiol(62224-02-6)
• EPA Substance Registry System: heptane-1,7-dithiol(62224-02-6)

Safety Data

• Hazardous Substances Data: 62224-02-6(Hazardous Substances Data)

Usage

Uses

Used in Rubber Manufacturing:
Heptane-1,7-dithiol is utilized as a vulcanization agent in the production of rubber. Its application is crucial for enhancing the elasticity, strength, and durability of rubber products.
Used in Pesticide Production:
heptane-1,7-dithiol serves as an essential ingredient in the formulation of pesticides, contributing to the effectiveness of these agricultural chemicals in controlling pests and diseases.
Used in Pharmaceutical Industry:
Heptane-1,7-dithiol is employed in the development and production of various pharmaceuticals, where its chemical properties play a significant role in the synthesis of medicinal compounds.
Used in Chemical Research:
Due to its unique chemical structure, heptane-1,7-dithiol is also used in scientific research and development, particularly in the field of organic chemistry, where it can be a valuable reagent or intermediate in the synthesis of more complex molecules.

Upstream product

• 629-30-1 1,7-heptandiol 
• 4549-31-9 1,7-dibromoheptane 

Downstream Products

• 5650-30-6 2,2,12,12-tetramethyl-1,3,11,13-tetrathia-cycloeicosane 

Relevant articles and documents

[FeFe]-Hydrogenase H-Cluster Mimics with Various -S(CH2)nS- Linker Lengths (n = 2-8): A Systematic Study

The effect of the nature of the dithiolato ligand on the physical and electrochemical properties of synthetic H-cluster mimics of the [FeFe]-hydrogenase is still of significant concern. In this report we describe the cyclization of various alkanedithiols to afford cyclic disulfide, tetrasulfide, and hexasulfide compounds. The latter compounds were used as proligands for the synthesis of a series of [FeFe]-hydrogenase H-cluster mimics having the general formulas [Fe2(CO)6{μ-S(CH2)nS}] (n = 4-8), [Fe2(CO)6{μ-S(CH2)nS}]2 (n = 6-8), and [Fe2(CO)6{(μ-S(CH2)nS)2}] (n = 6-8). The resulting complexes were characterized by 1H and 13C{1H} NMR and IR spectroscopic techniques, mass spectrometry, and elemental analysis as well as X-ray analysis. The purpose of this research was to study the influence of the systematic increase of n from 2 to 7 on the redox potentials of the models and the catalytic ability in the presence of acetic acid (AcOH) by applying cyclic voltammetry.

Structure-odor correlations in homologous series of alkanethiols and attempts to predict odor thresholds by 3d-qsar studies

Homologous series of alkane-1-thiols, alkane-2-thiols, alkane-3-thiols, 2-methylalkane-1-thiols, 2-methylalkane-3-thiols, 2-methylalkane-2-thiols, and alkane-1,??-dithiols were synthesized to study the influence of structural changes on odor qualities and odor thresholds. In particular, the odor thresholds were strongly influenced by steric effects: In all homologous series a minimum was observed for thiols with five to seven carbon atoms, whereas increasing the chain length led to an exponential increase in the odor threshold. Tertiary alkanethiols revealed clearly lower odor thresholds than found for primary or secondary thiols, whereas neither a second mercapto group in the molecule nor an additional methyl substitution lowered the threshold. To investigate the impact of the SH group, odor thresholds and odor qualities of thiols were compared to those of the corresponding alcohols and (methylthio)alkanes. Replacement of the SH group by an OH group as well as S-methylation of the thiols significantly increased the odor thresholds. By using comparative molecular field analysis, a 3D quantitative structure-activity relationship model was created, which was able to simulate the odor thresholds of alkanethiols in good agreement with the experimental results. NMR and mass spectrometric data for 46 sulfur-containing compounds are additionally supplied.