Cas no 105780-31-2 (Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-)
105780-31-2 structure
Product Name:Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-
CAS No:105780-31-2
MF:C8H8N2O7
MW:244.15832233429
CID:1163169
PubChem ID:13750861
Update Time:2025-04-20
Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro-
- 2-(2-hydroxyethoxy)-4,5-dinitrophenol
- 105780-31-2
- 4,5-dinitro-2-(beta-hydroxyethoxy)phenol
- XPNCLRZKSGBTJT-UHFFFAOYSA-N
- SCHEMBL9865389
- DTXSID20548378
-
- Inchi: 1S/C8H8N2O7/c11-1-2-17-8-4-6(10(15)16)5(9(13)14)3-7(8)12/h3-4,11-12H,1-2H2
- InChI Key: XPNCLRZKSGBTJT-UHFFFAOYSA-N
- SMILES: O(CCO)C1C(=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-])O
Computed Properties
- Exact Mass: 244.03314
- Monoisotopic Mass: 244.03315060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 287
- 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: 0.5
- Topological Polar Surface Area: 141?2
Experimental Properties
- PSA: 135.97
Phenol, 2-(2-hydroxyethoxy)-4,5-dinitro- Related Literature
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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
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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