831203-13-5 Usage
General Description
5-Bromo-2-chloro-3-fluoropyridine is a multifunctional halogenated pyridine, a class of compounds known for their applications in pharmaceuticals and agrochemicals. The compound, classified under the category of organic fluorides and organic chlorides, features a pyridine ring that is substituted with bromine, chlorine, and fluorine atoms. It is recognized by its molecular formula C5H2BrClF1N, and its systematic name is 5-bromo-2-chloro-3-fluoropyridine. Owing to its substitution pattern, it offers significant potential as an intermediate in the production of more complex chemicals. Its safety, environmental impact, or toxicity, would naturally depend on specific manufacturing or usage circumstances, so appropriate caution and protections should be adopted as required or mandated.
Check Digit Verification of cas no
The CAS Registry Mumber 831203-13-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,3,1,2,0 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 831203-13:
(8*8)+(7*3)+(6*1)+(5*2)+(4*0)+(3*3)+(2*1)+(1*3)=115
115 % 10 = 5
So 831203-13-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H2BrClFN/c6-3-1-4(8)5(7)9-2-3/h1-2H
831203-13-5Relevant articles and documents
Application of 1,1-ADEQUATE, HMBC, and Density Functional Theory to Determine Regioselectivity in the Halogenation of Pyridine N-Oxides
Hwang, Tsang-Lin,Bartberger, Michael D.,Chen, Ying
, p. 1956 - 1959 (2016/06/01)
The 1,1-ADEQUATE spectrum clearly shows specific two-bond proton to carbon correlations to unequivocally distinguish the major and minor regioisomers of ortho-halogenated pyridines and to aid in assignment of the corresponding proton and carbon chemical shifts. M06-2X/6-31+G(d,p) free energies of the regioisomeric intermediates arising from deprotonation correctly predict the experimentally observed preference and thus can be used to tune the substituent pattern to yield a desired regiochemical outcome.
