Cas no 1134-85-6 (Phenol,2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI))
1134-85-6 structure
Product Name:Phenol,2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI)
CAS No:1134-85-6
MF:C6H8N4O5
MW:216.151520729065
CID:207792
PubChem ID:5464241
Update Time:2025-04-19
Phenol,2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI)
- Ammonium 2-amino-4,6-dinitrophenolate
- azanium,2-amino-4,6-dinitrophenolate
- 1134-85-6
- EINECS 214-487-4
- DTXSID90150402
- azanium;2-amino-4,6-dinitrophenolate
- NS00081462
-
- Inchi： 1S/C6H5N3O5.H3N/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;1H3
- InChI Key： QVQATLCZPOLIEI-UHFFFAOYSA-N
- SMILES： [O-]C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N.[NH4+]
Computed Properties
- Exact Mass: 216.04954
- Monoisotopic Mass: 216.04946937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 247
- Covalently-Bonded Unit Count: 2
- 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: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 142?2
Experimental Properties
- PSA: 171.86
Phenol,2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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