Cas no 68425-59-2 ((sec-butyl)nitrobenzene)
(sec-butyl)nitrobenzene structure
Product Name:(sec-butyl)nitrobenzene
CAS No:68425-59-2
MF:C10H13NO2
MW:179.215722799301
CID:970543
PubChem ID:109353
Update Time:2025-04-19
(sec-butyl)nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- (sec-butyl)nitrobenzene
- 1-(butan-2-yl)-3-nitrobenzene
- Benzene, (1-methylpropyl)nitro-
- sec-Butylnitrobenzene
- m-Nitro-sec-butylbenzene
- EINECS 270-619-0
- DTXSID90887403
- Benzene, 1-(1-methylpropyl)-3-nitro-
- 1-sec-Butyl-3-nitrobenzene
- 68459-81-4
- EINECS 270-359-8
- NS00062849
- SCHEMBL18896279
- 68425-59-2
- XOLORNDFLIOCMW-UHFFFAOYSA-N
-
- Inchi： 1S/C10H13NO2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3
- InChI Key： XOLORNDFLIOCMW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)C(C)CC)=O
Computed Properties
- Exact Mass: 179.09469
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
(sec-butyl)nitrobenzene Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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