1,9-Nonanedithiol

Base Information

• Chemical Name: 1,9-Nonanedithiol
• CAS No.: 3489-28-9
• Molecular Formula: C9H20S2
• Molecular Weight: 192.39
• Hs Code.: 29309090
• European Community (EC) Number: 222-482-3
• NSC Number: 65658
• UNII: 5BPJ1XQE3T
• DSSTox Substance ID: DTXSID7063053
• Nikkaji Number: J216.152D
• Wikidata: Q27261797
• Metabolomics Workbench ID: 45052
• Mol file: 3489-28-9.mol

Synonyms:1,9-nonanedithiol

Chemical Property of 1,9-Nonanedithiol

Chemical Property:

• Appearance/Colour: Colorless - light yellow liquid. With a stench.
• Vapor Pressure: 0.00684mmHg at 25°C
• Melting Point: -17.5oC
• Refractive Index: n20/D 1.4999(lit.)
• Boiling Point: 279.4 °C at 760 mmHg
• PKA: 10.19±0.10(Predicted)
• Flash Point: 101.7 °C
• PSA: 77.60000
• Density: 0.938 g/cm³
• LogP: 3.57670
• Sensitive.: Air Sensitive
• Water Solubility.: insoluble
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 192.10064299
• Heavy Atom Count: 11
• Complexity: 56.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,9-Nonanedithiol ≥95%,FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: C(CCCCS)CCCCS
• Uses: Possible uses: mushroom, meat, chicken, cereal, cucumber.

Technology Process of 1,9-Nonanedithiol

There total 4 articles about 1,9-Nonanedithiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,9-Dibromononane (4549-33-1) → 1,9-nonandithiol (3489-28-9)

Guidance literature:

With methanol; ammonium sulfide; at 80 - 90 ℃;

Reference yield:

→ 1,9-nonandithiol (3489-28-9)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01119a009

Reference yield:

1,9-Nonanediol (3937-56-2) → 1,9-nonandithiol (3489-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr

2: methanol; NH₄SH / 80 - 90 °C

With methanol; ammonium sulfide; hydrogen bromide;

upstream raw materials:

1,9-Dibromononane

1,9-Nonanediol

Downstream raw materials:

3-(m-nitrobenzoyl)-1,9-dithia-trans-4-trans-6-cyclooctadecadiene

Refernces