Cas no 7252-51-9 (1-butoxy-2-nitrobenzene)
1-butoxy-2-nitrobenzene structure
Product Name:1-butoxy-2-nitrobenzene
CAS No:7252-51-9
MF:C10H13NO3
MW:195.215122938156
CID:1756806
PubChem ID:244270
Update Time:2025-04-21
1-butoxy-2-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-butoxy-2-nitrobenzene
- 1-n-butoxy-2-nitrobenzene
- Benzene, 1-butoxy-2-nitro-
- AC1Q2XJ0
- AC1L6DCO
- n-butyl o-nitrophenyl ether
- 1-butoxy-2-nitro-benzene
- butyl-(2-nitro-phenyl)-ether
- O-BUTOXYNITROBENZENE
- SureCN3463529
- SBB068830
- NSC55074
- 2-Butoxynitrobenzene
- 2-Nitro-1-butyloxy-benzol
- Butyl-(2-nitro-phenyl)-aether
- HS-5430
- 1-Butoxy-2-nitrobenzene #
- DTXSID70288252
- o-n-butoxynitrobenzene
- SCHEMBL3463529
- VOCILNVWSWTHNE-UHFFFAOYSA-N
- NSC-55074
- 7252-51-9
- NSC 55074
- AKOS015917647
-
- Inchi： 1S/C10H13NO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3
- InChI Key： VOCILNVWSWTHNE-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1[N+](=O)[O-])CCCC
Computed Properties
- Exact Mass: 195.08959
- Monoisotopic Mass: 195.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 3
- Topological Polar Surface Area: 55A^2
Experimental Properties
- Density: 1.116
- Boiling Point: 299.9°C at 760 mmHg
- Flash Point: 129.9°C
- Refractive Index: 1.522
- PSA: 52.37
- LogP: 3.29690
1-butoxy-2-nitrobenzene Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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