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Benzonitrile, 4-(isothiocyanatomethyl)-, also known as 4-isothiocyanatomethylbenzonitrile, is an organic compound with the chemical formula C9H6N2S. It is a colorless to pale yellow liquid with a pungent odor and is soluble in organic solvents. Benzonitrile, 4-(isothiocyanatomethyl)- is primarily used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is also employed in the preparation of dyes and pigments. Due to its reactivity, it is essential to handle Benzonitrile, 4-(isothiocyanatomethyl)- with care, following proper safety protocols to minimize potential health and environmental risks.

3694-48-2

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3694-48-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3694-48-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,6,9 and 4 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3694-48:
(6*3)+(5*6)+(4*9)+(3*4)+(2*4)+(1*8)=112
112 % 10 = 2
So 3694-48-2 is a valid CAS Registry Number.

3694-48-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-isothiocyanatomethyl-benzonitrile

1.2 Other means of identification

Product number -
Other names 4-Isothiocyanatomethyl-benzonitril

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:3694-48-2 SDS

3694-48-2Relevant academic research and scientific papers

Novel selective thiadiazine DYRK1A inhibitor lead scaffold with human pancreatic β-cell proliferation activity

Kumar, Kunal,Man-Un Ung, Peter,Wang, Peng,Wang, Hui,Li, Hailing,Andrews, Mary K.,Stewart, Andrew F.,Schlessinger, Avner,DeVita, Robert J.

supporting information, p. 1005 - 1016 (2018/09/05)

The Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) is an enzyme that has been implicated as an important drug target in various therapeutic areas, including neurological disorders (Down syndrome, Alzheimer's disease), oncology, and

Electron-transfer induced rearrangement of thiocyanate to isothiocyanate

Wakamatsu, Kan,Dairiki, Jun,Etoh, Tetsuo,Yamamoto, Hiroshi,Yamamoto, Satoshi,Shigetomi, Yasumasa

, p. 365 - 369 (2007/10/03)

Benzyl thiocyanates with an electron-withdrawing group (1a, 1b) and 9- fluorenyl thiocyanate (1e) rearrange to the corresponding isothiocyanate (2) under 9,10-diphenylanthracene (DPA) sensitization. The rearrangement would proceed via carbon-sulfur bond cleavage in an anion radical of 1 produced by photoinduced electron transfer, followed by back electron transfer to DPA·+ and recombination of the resulting radical or ion pair.

Substitution Reaction of Organic Halide by Trimethylsilyl Isothiocyanate: Formation of Thiocyanate and Its Rearrangement to Isothiocyanate

Nishiyama, Kozaburo,Oba, Makoto

, p. 2692 - 2694 (2007/10/02)

The reaction of organic halide with trimethylsilyl isothiocyanate (TMSTC) gave thiocyanate 1 and its isomerized isothiocyanate 2.Details of the substitution and the isomerization reactions were examined.

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