Decane, 1-isothiocyanato-

Base Information

• Chemical Name: Decane, 1-isothiocyanato-
• CAS No.: 24540-94-1
• Molecular Formula: C11H21NS
• Molecular Weight: 199.36
• Hs Code.: 2930909090
• European Community (EC) Number: 670-993-9
• DSSTox Substance ID: DTXSID1066998
• Nikkaji Number: J246.573F
• Mol file: 24540-94-1.mol

Synonyms:Decyl isothiocyanate;24540-94-1;1-Isothiocyanatodecane;Decane, 1-isothiocyanato-;1-decyl isothiocyanate;n-decylisothiocyanate;DECylisoTHIOCYANATE;Decane,1-isothiocyanato-;1-Isothiocyanatodecane #;SCHEMBL332310;1-Decyl isothiocyanate, 96%;DTXSID1066998;ZAA54094;GEO-03388;MFCD00041120;AKOS006228596;FS-4460;FT-0627520;A817353

Chemical Property of Decane, 1-isothiocyanato-

Chemical Property:

• Vapor Pressure: 0.00851mmHg at 25°C
• Refractive Index: 1.4860
• Boiling Point: 275.5 °C at 760 mmHg
• Flash Point: 122.6 °C
• PSA: 44.45000
• Density: 0.89 g/cm³
• LogP: 4.22990
• Sensitive.: Moisture Sensitive
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 199.13947085
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Decylisothiocyanate 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/22:Harmful by inhalation and if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R20/22:Harmful by inhalation and if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: 20/22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCN=C=S

Technology Process of Decane, 1-isothiocyanato-

There total 2 articles about Decane, 1-isothiocyanato- 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:

Ag(1+)*SCSNHC10H21(1-)={AgSCSNHC10H21} → silver sulfide + hydrogen sulfide (7783-06-4) + decylisothiocyanate (24540-94-1)

Guidance literature:

Reference yield:

thiophosgene (463-71-8) + 1-aminodecane (2016-57-1) → decylisothiocyanate (24540-94-1)

Guidance literature:

With sodium carbonate; In water; ethyl acetate; Cooling with ice;

DOI:10.1039/c4ob01954g

Reference yield: 98.0%

2,5-dideoxy-2,5-imino-D-mannitol (59920-31-9) + decylisothiocyanate (24540-94-1) → (2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidine-1-carbothioic acid decylamide

Guidance literature:

With triethylamine; In pyridine; at 20 ℃; for 21h;

DOI:10.1016/j.bmc.2016.10.015

upstream raw materials:

thiophosgene

1-aminodecane

Downstream raw materials:

1-[4-(2-Formylhydrazino)phenyl]-3-decylthiourea

1-(3-chlorobenzoyl)-4-decylthiosemicarbazide

5-(3-chlorophenyl)-4-decyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Refernces