86317-36-4 Usage
Description
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is a chemical compound with the molecular formula C8H6N2O2S. It is a yellow solid that is used in organic synthesis and in the creation of various chemical compounds.
Uses
Used in Pharmaceutical Industry:
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is used as a building block for the production of pharmaceuticals, due to its ability to react with a variety of organic functional groups and its versatility in creating complex chemical structures.
Used in Agrochemical Industry:
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is used as a building block in the creation of agrochemicals, contributing to the development of effective and innovative products for agricultural applications.
Used in Materials Science:
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is used in materials science applications, where its reactivity and versatility allow for the development of new materials with specific properties.
Used as a Pharmaceutical Intermediate:
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is used as a pharmaceutical intermediate in the synthesis of various drugs, playing a crucial role in the development of new medications.
Check Digit Verification of cas no
The CAS Registry Mumber 86317-36-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,6,3,1 and 7 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 86317-36:
(7*8)+(6*6)+(5*3)+(4*1)+(3*7)+(2*3)+(1*6)=144
144 % 10 = 4
So 86317-36-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O2S/c1-6-2-3-7(10(11)12)4-8(6)9-5-13/h2-4H,1H3
86317-36-4Relevant articles and documents
Degradation in Aqueous Solution of O-Aryl N-Arylthioncarbamates to Aryloxide Ions and Isothiocyanates. A Study of Leffler's Assumption
Hill, Stephen V.,Thea, Sergio,Williams, Andrew
, p. 437 - 446 (2007/10/02)
Rate constants for the title reaction have been measured in both forward and reverse directions leading to rates and equilibrium constants for all steps in equation (i).The effects of varying the structures of Ar and Ar' on the equilibrium and rate constants were measured; identical Leffler-Grunwald indices (α=βF/βEQ=d log k/d log K) for the addition step are observed for variation in Ar and Ar' although individual β values are markedly different.Identical α parameters arising from different substituent interaction pathways to a single bond are required if the reaction conforms to the Leffler assumption; on this basis the α parameter is considered a good measure of transition-state structure relative to reactant- and product-states for the addition reaction. 'Effective charges' on the phenolic oxygen in the thioncarbamate and its conjugate base indicate considerable C(1+)-S(1-) character in the formal thioncarbamoyl bond.
