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HEXADECYL ISOTHIOCYANATE, with the molecular formula C18H35NCS, is a synthetic organic compound characterized by its strong and pungent odor. It is recognized for its applications in the production of pesticides and herbicides, as well as its utility in biochemical research for labeling and modifying biomolecules. Due to its potential to cause irritation to the skin, eyes, and respiratory system, proper handling is essential.

4426-87-3

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4426-87-3 Usage

Uses

Used in Pesticide and Herbicide Production:
HEXADECYL ISOTHIOCYANATE is used as an active ingredient in the formulation of pesticides and herbicides. It serves to control, repel, or kill unwanted pests and weeds, thereby protecting crops and enhancing agricultural productivity.
Used in Biochemical Research:
In the field of biochemical research, HEXADECYL ISOTHIOCYANATE is employed as a reagent for the labeling and modification of biomolecules. Its properties allow for the tracking and analysis of these molecules, contributing to advancements in biological and medical sciences.
Used in Pharmaceutical Industry:
HEXADECYL ISOTHIOCYANATE is also utilized in the pharmaceutical industry for the development of therapeutic agents. Its unique chemical structure enables it to interact with biological targets, potentially leading to the creation of new drugs for various medical conditions.
Used in Chemical Synthesis:
HEXADECYL ISOTHIOCYANATE is used as an intermediate in the synthesis of various organic and pharmaceutical chemicals. Its versatility in chemical reactions makes it a valuable component in the development of new chemical entities with diverse applications.
Used in Analytical Chemistry:
HEXADECYL ISOTHIOCYANATE can be employed in analytical chemistry as a derivatizing agent. It helps in the detection, identification, and quantification of certain compounds through techniques such as chromatography and mass spectrometry.
Used in Material Science:
In material science, HEXADECYL ISOTHIOCYANATE may be used to develop new materials with specific properties. Its incorporation into polymers or other materials can lead to the creation of substances with tailored characteristics for specialized applications.

Check Digit Verification of cas no

The CAS Registry Mumber 4426-87-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,2 and 6 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4426-87:
(6*4)+(5*4)+(4*2)+(3*6)+(2*8)+(1*7)=93
93 % 10 = 3
So 4426-87-3 is a valid CAS Registry Number.
InChI:InChI=1/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3

4426-87-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-isothiocyanatohexadecane

1.2 Other means of identification

Product number -
Other names Hexadecyliso-thiocyanat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4426-87-3 SDS

4426-87-3Downstream Products

4426-87-3Relevant academic research and scientific papers

NOVEL LIPIDS AND NOVEL PHOSPHOLIPIDS STRUCTURES

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Page/Page column 64-65, (2012/09/22)

The invention relates to a lipids comprising or consisting of 1,3-diamidolipids or/and 1,2-diamidolipids or/and 2,3-diamidolipids or/and 1,3-diurealipids or/and 1,2-diurealipids or/and 2,3-diurealipids or/and 1,3 -dithiourealipids or/and 1,2-dithiourealipids or/and 2,3-dithiourealipids or/and 1,3-diacylurealipids or/and 1,2-diacylurealipids or/and 2,3-diacylurealipids or/and 1 -amidolipids or/and 1-urealipids or/and 1-thiourealipids or/and 1-acylurealipids or/and cyclic-amidolipids or/and cyclic urealipids or/and cyclic thiourealipids or/and cyclic acylurealipids, and their medical and non-medical use.

Applications of surfactant-modified clays to synthetic organic chemistry

Ghiaci,Sedaghat,Kalbasi,Abbaspur

, p. 5529 - 5534 (2007/10/03)

Two triphase catalysts (SLL) have been developed for organic phase-aqueous phase reactions catalyzed by suitable modified clay (solid phase). These triphase catalysts have been applied to nucleophilic displacement on activated (benzylic) as well as unactivated organic halides and provide a convenient and effective method of preparation of the corresponding products. Other useful transformations to, which these triphase catalysts have been successfully applied are the synthesis of 9,9-dichloro bicyclo[6.1.0]nonane, O-alkylation and C-alkylation of β-naphthol.

Synthesis and properties of new thiourea-functionalized poly(propylene imine) dendrimers and their role as hosts for urea functionalized guests

Boas,Karlsson,De Waal,Meijer

, p. 2136 - 2145 (2007/10/03)

Five generations of poly(propylene imine) dendrimers have been modified by palmityl and adamantyl endgroups via a thiourea linkage. The synthesis of the thiourea dendrimers DAB-dendr-(NHCSNHAd)n and DAB-dendr-(NHCSNHC16H33)n (n = 4, 8, 16, 32, 64) proceeds smoothly via the amino-terminated DAB dendrimer and the adamantyl and palmityl isothiocyanates, respectively. The properties of the thiourea dendrimers have been studied by IR and 1H NMR, including relaxation (T1, T2) measurements. The thiourea dendrimers are used as multivalent hosts for a number of guest molecules containing a terminal urea-glycine unit in organic solvents. The host-guest interactions have been investigated using 1D- and NOESY-NMR. These investigations show that the guest molecules bind to the dendritic host via thiourea (host)-urea (guest) hydrogen bonding, and ionic bonding between the terminal guest carboxylate moiety and the outer shell tertiary amines of the dendrimer. The ability to bind guest molecules of the adamantyl- and palmitylthiourea dendrimers has been compared with their respective urea containing dendrimer analogues, by NMR-titration, and competition experiments. Upon complexation, the thiourea dendrimer hosts show a larger downfield NH shift than the corresponding urea dendrimer hosts, indicative of stronger hydrogen bonding in the complexed state. Furthermore, microcalorimetry has been used to determine binding constants for formation of the host-guest complexes; the binding constants are typically in the order of 104 M-1. Both NMR and microcalorimetric studies show that the thiourea dendrimers bind the urea containing guests with somewhat higher affinity than the corresponding urea dendrimers.

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