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Cyclohexene, 3-isothiocyanato-, also known as 3-isothiocyanatocyclohexene, is an organic compound with the chemical formula C7H11NS. It is a colorless to pale yellow liquid that is insoluble in water but soluble in organic solvents. Cyclohexene, 3-isothiocyanato- is characterized by the presence of a cyclohexene ring with an isothiocyanate group attached at the 3-position. It is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of herbicides and fungicides. Due to its reactivity, it is important to handle Cyclohexene, 3-isothiocyanato- with care, as it can cause skin and eye irritation, and prolonged exposure may lead to more severe health effects.

2696-79-9

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2696-79-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2696-79-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,9 and 6 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2696-79:
(6*2)+(5*6)+(4*9)+(3*6)+(2*7)+(1*9)=119
119 % 10 = 9
So 2696-79-9 is a valid CAS Registry Number.

2696-79-9SDS

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 3-isothiocyanatocyclohexene

1.2 Other means of identification

Product number -
Other names 3-isothiocyanato-cyclohexene

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:2696-79-9 SDS

2696-79-9Relevant academic research and scientific papers

N-(4-Methoxyphenyl)-substituted bicyclic isothioureas: effect on morphology of cancer cells

Alexeev, Alexander A.,Evdokimova, Anna V.,Kuznetsov, Sergei A.,Milaeva, Elena R.,Nurieva, Evgeniya V.,Zefirova, Olga N.

, p. 288 - 290 (2021/06/07)

Bicyclic isothioureas of N-(4-methoxyphenyl)-2-aminocycloalkane[d]thiazole type were obtained using intramolecular electrophilic cyclization of N-(cycloalk-2-enyl)-N′-(4-methoxyphenyl)thioureas. Isothiourea fused with sevenmembered ring caused noticeable

ALKYL AND ARYL ISOTHIOCYANATES AS MASKED PRIMARY AMINES

Cho, Cheon-Gyu,Posner, Gary H.

, p. 3599 - 3602 (2007/10/02)

Primary and secondary (but not tertiary) alkyl as well as aryl isothiocyanates react rapidly with 4-methyl-1,2-benzenedithiol (1) in methanol at room temperature, releasing the corresponding amines in good yields.This mild and simple procedure for unmasking amines proceeds chemospecifically with isothiocyanates even in the presence of such normally electrophilic and reactive functionalities as carboxylate ester and N-alkylphthalimide.

vic-Iodothiocyanates and Iodoisothiocyanates. Part 8. Addition of Iodine-Thiocyanogen to Alkenes under Ionic and Radical Conditions

Cambie, Richard C.,Rutledge, Peter S.,Strange, Gary A.,Woodgate, Paul D.

, p. 553 - 565 (2007/10/02)

Addition of iodine-thiocyanogen to alkenes in the dark proceeds by a regioselective ionic reaction to give mainly vic-iodoisothiocyanates, and under irradiation with u.v. light by a radical reaction to give mainly vic-iodothiocyanates.However, in the case of 1-methylene-4-t-butylcyclohexane even under irradiation by u.v. light, ionic addition of the reagent competes successfully with, and almost to the exclusion of, the radical pathway.

Reaction of Olefins with a Mixture of Phenylselenenyl Chloride and Mercury(II) Thiocyanate. Selective Syntheses of β-(Phenylseleno)alkyl Isothiocyanates as Precursors of Vinylic Isothiocyanates

Toshimitsu, Akio,Uemura, Sakae,Okano, Masaya,Watanabe, Nanao

, p. 5246 - 5251 (2007/10/02)

The reaction of olefins with a mixture of phenylselenenyl chloride and mercury(II) thiocyanate in benzene as the solvent affords β-(phenylseleno)alkyl isothiocyanates selectively in good to excellent yields.The mercury salt not only increases the N selectivity in a kinetically controlled reaction but also accelerates the isomerization of β-(phenylseleno)alkyl thiocyanates to the corresponding isothiocyanates.Oxidative elimination of the β-(phenylseleno)alkyl isothiocyanates gives predominantly vinylic isothiocyanates together with a small amount of allylic isothiocyanate s.This sequence constitutes a convenient method for conversion of olefins to vinylic isothiocyanates.

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