Cas no 37437-43-7 (Phenol, 2,4,6-trinitro-, compd. with benzene (1:1))
37437-43-7 structure
Product Name:Phenol, 2,4,6-trinitro-, compd. with benzene (1:1)
CAS No:37437-43-7
MF:C12H9N3O7
MW:307.215762853622
CID:1483500
PubChem ID:23035133
Update Time:2025-04-21
Phenol, 2,4,6-trinitro-, compd. with benzene (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,4,6-trinitro-, compd. with benzene (1:1)
- benzene,2,4,6-trinitrophenol
- 2,4,6-Trinitrophenol--benzene (1/1)
- DTXSID70629944
- 37437-43-7
-
- Inchi： 1S/C6H3N3O7.C6H6/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-4-6-5-3-1/h1-2,10H;1-6H
- InChI Key： JHDRSOHMNFJEFP-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1C=CC=CC=1
Computed Properties
- Exact Mass: 307.04407
- Monoisotopic Mass: 307.04404963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 307
- 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
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 149.65
Phenol, 2,4,6-trinitro-, compd. with benzene (1:1) Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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