Cas no 30179-51-2 (Benzene, ethylnitro-)
Benzene, ethylnitro- structure
Product Name:Benzene, ethylnitro-
Benzene, ethylnitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, ethylnitro-
- 5-METHYLSALICYLAMIDE
- 1,4-dihydronaphthalene
- 1-ethyl-2-nitro-benzene
- Ethylnitrobenzene
- 30179-51-2
- SCHEMBL124981
- o-Ethylnitrobenzene
- DTXSID4073209
- o-ethyl nitrobenzene
- CCRIS 3099
- InChI=1/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H
- 1-Ethyl-2-nitrobenzene, 96%
- FT-0612289
- 1-Ethyl-2-nitrobenzene
- F87374
- 1-Ethyl-2-nitrobenzene, purum, >=98.0% (GC)
- SCHEMBL14417279
- NSC-5095
- UNII-DZR8C3N7UE
- E0153
- EINECS 210-299-1
- Benzene, 1-ethyl-2-nitro-
- o-Nitroethylbenzene
- NS00034608
- F0001-2459
- NSC5095
- NSC 5095
- MFCD00024294
- 612-22-6
- AS-17507
- 1-ethy1-2-nitro-benzene
- DZR8C3N7UE
- EN300-174278
- 2-Ethyl-1-nitrobenzene
- SCHEMBL3121140
- AKOS015888596
- 2-Ethylnitrobenzene
- J-509331
- EINECS 250-083-4
-
- Inchi： 1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3
- InChI Key： PXWYZLWEKCMTEZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1CC)=O
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, ethylnitro- Related Literature
-
1. The mechanism of cyclisation of 1-ethyl-2-nitrobenzene to give 3-methylanthranil in trifluoromethanesulfonic acid. Evidence for an intramolecular hydrogen transferRupert P. Austin,John H. Ridd J. Chem. Soc. Perkin Trans. 2 1993 1229
-
M. Selvaraj,D.-W. Park,I. Kim,S. Kawi,C. S. Ha Dalton Trans. 2012 41 14204
-
Yang Lou,Jia Xu,Honglu Wu,Jingyue Liu Chem. Commun. 2018 54 13248
-
J. I. G. Cadogan,D. J. Sears,D. M. Smith,M. J. Todd J. Chem. Soc. C 1969 2813
-
M. M. Trandafir,L. Pop,N. D. H?dade,M. Florea,F. Nea?u,C. M. Teodorescu,B. Duraki,J. A. van Bokhoven,I. Grosu,Vasile I. Parvulescu,Hermenegildo Garcia Catal. Sci. Technol. 2016 6 8344
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