87617-21-8 Usage
General Description
4-Methyl-2-trifluoromethyl-nitrobenzene is a chemical compound with the molecular formula C7H6F3NO2. It is a nitroaromatic compound with a substituted benzene ring that contains a nitro group, a methyl group, and a trifluoromethyl group. 4-METHYL-2-TRIFLUOROMETHYL-NITROBENZENE is commonly used in organic synthesis and has industrial applications as a precursor in the production of various pharmaceuticals, dyes, and agrochemicals. It is also used as a building block for the synthesis of other organic compounds. However, it is important to handle this chemical with caution due to its potential hazards and toxicity.
Check Digit Verification of cas no
The CAS Registry Mumber 87617-21-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,6,1 and 7 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 87617-21:
(7*8)+(6*7)+(5*6)+(4*1)+(3*7)+(2*2)+(1*1)=158
158 % 10 = 8
So 87617-21-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F3NO2/c1-5-2-3-7(12(13)14)6(4-5)8(9,10)11/h2-4H,1H3
87617-21-8Relevant articles and documents
An "ortho effect" in electrophilic aromatic nitrations: Theoretical analysis and experimental validation
Li, Hui-Jing,Wu, Yan-Chao,Dai, Jian-Hong,Song, Yan,Cheng, Runjiao,Qiao, Yuanyuan
, p. 1307 - 1312 (2015/02/05)
Usually, a π-donor substituent acts as an ortho/para directing group in an electrophilic aromatic substitution reaction, and a π-acceptor substituent acts as a meta directing group. Interestingly, when a π-acceptor substituent is meta to a π-donor substituent, certain electrophilic aromatic nitration occurs ortho to the π-acceptor substituent rather than para . The "ortho effect", highlighted in various textbooks, has been tentatively analyzed here based on ab initio calculations. The reliability of the calculations was verified by the corresponding experimental data, including a newly-designed electrophilic aromatic nitration that also gave reasonable product distributions.
