86317-36-4 Usage
General 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. It is commonly used as a building block in the production of pharmaceuticals, agrochemicals, and materials science applications. 2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is known for its ability to react with a variety of organic functional groups, and its versatility makes it a valuable tool in the laboratory for creating complex chemical structures. Additionally, 2-METHYL-5-NITROPHENYL ISOTHIOCYANATE is known for its potential use as a pharmaceutical intermediate in the synthesis of various drugs.
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.
