Cas no 6294-59-3 (2,4,6-trinitrophenol - 4-benzylpyridine (1:1))
6294-59-3 structure
Product Name:2,4,6-trinitrophenol - 4-benzylpyridine (1:1)
CAS No:6294-59-3
MF:C18H14N4O7
MW:398.326364040375
CID:958365
PubChem ID:222707
Update Time:2025-04-19
2,4,6-trinitrophenol - 4-benzylpyridine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-trinitrophenol - 4-benzylpyridine (1:1)
- 4-benzylpyridine,2,4,6-trinitrophenol
- AC1L5C0M
- AC1Q1YJ3
- AG-J-91321
- AR-1D3195
- CTK5B6742
- NSC9491
- NSC-9491
- 6294-59-3
- 2,4,6-trinitrophenol- 4-benzylpyridine(1:1)
- DTXSID30278715
-
- Inchi： 1S/C12H11N.C6H3N3O7/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10H2;1-2,10H
- InChI Key： BMRBVFZVRJYTPM-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].N1C=CC(=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 398.08632
- Monoisotopic Mass: 398.08624880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 424
- 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: 171?2
Experimental Properties
- PSA: 162.54
2,4,6-trinitrophenol - 4-benzylpyridine (1:1) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jason Wan Lab Chip, 2020,20, 4528-4538
6294-59-3 (2,4,6-trinitrophenol - 4-benzylpyridine (1:1)) Related Products
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