5586-70-9

Basic information

• Product Name: 1,6-HEXANE DIISOTHIOCYANATE
• Synonyms: 1,6-diisothiocyanato-hexan;1,6-Diisothiocyanatohexane;hexamethylenediisothiocyanate;Hexane, 1,6-diisothiocyanato-;Isothiocyanic acid, hexamethylene diester;isothiocyanicacid,hexamethyleneester;1,6-HEXANE DIISOTHIOCYANATE;Hexamethylenebisisothiocyanate
• CAS NO: 5586-70-9
• Molecular Formula: C₈H₁₂N₂S₂
• Molecular Weight: 200.32
• Mol File: 5586-70-9.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 183 °C
• Flash Point: 158.5 °C
• Appearance: /
• Density: 1,09 g/cm3
• Vapor Pressure: 0.0004mmHg at 25°C
• Refractive Index: 1.552
• CAS DataBase Reference: 1,6-HEXANE DIISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,6-HEXANE DIISOTHIOCYANATE(5586-70-9)
• EPA Substance Registry System: 1,6-HEXANE DIISOTHIOCYANATE(5586-70-9)

Safety Data

• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 5586-70-9(Hazardous Substances Data)

Usage

Uses

1,6-Hexane diisothiocyanate is a useful research chemical.

InChI:InChI=1/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

Upstream product

• 124-09-4 1,6-Hexanediamine 
• 102368-13-8 1,1'-Thiocarbonyldi-2(1H)-pyridone 
• 19657-28-4 C₁₄H₂₄N₂O₄S₄ 
• 75-15-0 carbon disulfide 
• 10017-50-2 hexamethylenedithioureide 
• 1370652-54-2 N,N'-hexanediyl bis-dithiocarbamic acid diphenyl ester 
• 463-71-8 thiophosgene 

Downstream Products

• 56473-63-3 C₂₂H₂₈Cl₂N₈S₄ 
• 56473-61-1 C₂₄H₃₄N₈S₄ 
• 56602-52-9 C₂₆H₃₄N₈O₂S₂ 
• 56513-55-4 C₂₂H₄₂N₈S₄ 
• 56473-62-2 C₂₂H₃₀N₈S₄ 
• 56473-31-5 C₂₄H₂₈N₆O₄S₂ 
• 56473-33-7 C₂₄H₂₈N₆O₄S₂ 
• 56473-32-6 C₂₄H₂₈N₆O₄S₂ 
• 56473-42-8 1,1'-Di(p-nitro-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 
• 56473-41-7 1,1'-Di(m-nitro-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 
• 56473-37-1 1,1'-Di(m-brom-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 
• 56473-39-3 1,1'-Di(m-Chlor-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 
• 56473-38-2 1,1'-Di(p-brom-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 
• 56473-40-6 1,1'-Di(p-chlorbenzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid) 

Relevant articles and documents

Synthesis of isothiocyanates using DMT/NMM/TsO? as a new desulfurization reagent

Thirty-three alkyl and aryl isothiocyanates, as well as isothiocyanate derivatives from esters of coded amino acids and from esters of unnatural amino acids (6-aminocaproic, 4-(aminomethyl)benzoic, and tranexamic acids), were synthesized with satisfactory or very good yields (25–97%). Synthesis was performed in a “one-pot”, two-step procedure, in the presence of organic base (Et3 N, DBU or NMM), and carbon disulfide via dithiocarbamates, with 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium toluene-4-sulfonate (DMT/NMM/TsO? ) as a desulfurization reagent. For the synthesis of aliphatic and aromatic isothiocyanates, reactions were carried out in a microwave reactor, and selected alkyl isothiocyanates were also synthesized in aqueous medium with high yields (72–96%). Isothiocyanate derivatives of L-and D-amino acid methyl esters were synthesized, under conditions without microwave radiation assistance, with low racemization (er 99 > 1), and their absolute configuration was confirmed by circular dichroism. Isothiocyanate derivatives of natural and unnatural amino acids were evaluated for antibacterial activity on E. coli and S. aureus bacterial strains, where the most active was ITC 9e.

T3P - A Benign Desulfurating Reagent in the Synthesis of Isothiocyanates

A number of alkyl, aryl and bifunctional isothiocyanates are obtained in moderate to high yields (41-94%) in a two-step, one-pot reaction of the parent primary amines or their salts with carbon disulfide, followed by reaction of the thus formed dithiocarbamates with T3P (propane phosphonic acid anhydride) as a new and efficient desulfurating agent.

A thiourea multifunctional synergistic antioxidant stabilizer and its preparation method and application

The invention relates to a multi-functional synergetic anti-oxidative stabilizer for thiourea as well as a preparation method and application thereof. The multi-functional synergetic anti-oxidative stabilizer has a structure shown in the specification, wh