Cas no 52899-59-9 (4-Butyl-2-nitro-phenol)
4-Butyl-2-nitro-phenol structure
Product Name:4-Butyl-2-nitro-phenol
CAS No:52899-59-9
MF:C10H13NO3
MW:195.215122938156
CID:383420
PubChem ID:104353
Update Time:2025-04-19
4-Butyl-2-nitro-phenol Chemical and Physical Properties
Names and Identifiers
-
- 4-Butyl-2-nitro-phenol
- 4-butyl-2-nitroPhenol
- 2-nitro-4-butylphenol
- 3-Nitro-4-hydroxy-1-butyl-benzol
- 4-n-butyl-2-nitrophenol
- AC1L2WMF
- AC1Q5AP5
- AR-1G1386
- CTK1H4505
- EINECS 258-245-6
- Phenol, 4-butyl-2-nitro-
- SureCN1025706
- NS00032609
- SCHEMBL1025706
- 52899-59-9
- D2ZYJ76T9A
- YNCKBAUMTMYXSC-UHFFFAOYSA-N
- FT-0752803
- DTXSID50200937
- AKOS017504532
-
- Inchi： 1S/C10H13NO3/c1-2-3-4-8-5-6-10(12)9(7-8)11(13)14/h5-7,12H,2-4H2,1H3
- InChI Key： YNCKBAUMTMYXSC-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])CCCC
Computed Properties
- Exact Mass: 195.08959
- Monoisotopic Mass: 195.089543
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 190
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 66
Experimental Properties
- Density: 1.179
- Boiling Point: 297.6°Cat760mmHg
- Flash Point: 125.6°C
- Refractive Index: 1.559
- PSA: 63.37
4-Butyl-2-nitro-phenol Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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