Cas no 67285-54-5 (Benzene, 1-(hexyloxy)-2-nitro-)
67285-54-5 structure
Product Name:Benzene, 1-(hexyloxy)-2-nitro-
CAS No:67285-54-5
MF:C12H17NO3
MW:223.268283605576
CID:1714477
PubChem ID:15068113
Update Time:2025-04-21
Benzene, 1-(hexyloxy)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(hexyloxy)-2-nitro-
- 1-hexoxy-2-nitrobenzene
- 2-NITROPHENYL HEXYL ETHER
- 2-(Hexyloxy)-1-nitrobenzene
- o-Nitrophenyl hexyl ether
- SCHEMBL1123538
- GEO-02654
- 1-(Hexyloxy)-2-nitrobenzene
- 1-hexoxy-2-nitro-benzene
- MFCD00047678
- DTXSID20567781
- NJCHAZKRCVGSEX-UHFFFAOYSA-N
- DB-203470
- AKOS040767995
- 67285-54-5
-
- Inchi: 1S/C12H17NO3/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3
- InChI Key: NJCHAZKRCVGSEX-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1[N+](=O)[O-])CCCCCC
Computed Properties
- Exact Mass: 223.12091
- Monoisotopic Mass: 223.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 203
- 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: 4.1
- Topological Polar Surface Area: 55?2
Experimental Properties
- Density: 1.074±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.029 g/l) (25 o C),
- PSA: 52.37
Benzene, 1-(hexyloxy)-2-nitro- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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