Cas no 66041-61-0 (4,4'-Dihydroxy-3,3'-dinitrobiphenyl)
66041-61-0 structure
Product Name:4,4'-Dihydroxy-3,3'-dinitrobiphenyl
CAS No:66041-61-0
MF:C12H8N2O6
MW:276.201723098755
CID:963056
PubChem ID:5378005
Update Time:2025-04-19
4,4'-Dihydroxy-3,3'-dinitrobiphenyl Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-Dihydroxy-3,3'-dinitrobiphenyl
- 4-(4-hydroxy-3-nitrophenyl)-2-nitrophenol
- [1,1'-biphenyl]-4,4'-diol, 3,3'-dinitro-
- 3,3'-Dinitro[1,1'-biphenyl]-4,4'-diol
- 3,3'-Dinitrobiphenyl-4,4'-diol
- DTXSID40216249
- (1,1'-BIPHENYL)-4,4'-DIOL, 3,3'-DINITRO-
- 3,3'-Dinitro[1,1'-biphenyl]-4,4'-diol #
- CHEMBL3427568
- 66041-61-0
- UNII-2YTG6I1EJV
- 2YTG6I1EJV
- 3,3'-dinitro-4,4'-dihydroxybiphenyl
- NTXCSKZBHUKPQU-UHFFFAOYSA-N
- SCHEMBL4368126
- CCRIS 5767
-
- Inchi： 1S/C12H8N2O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H
- InChI Key： NTXCSKZBHUKPQU-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])C1C=CC(=C(C=1)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 276.03824
- Monoisotopic Mass: 276.03823598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 343
- 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: 3.7
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 126.74
4,4'-Dihydroxy-3,3'-dinitrobiphenyl Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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