Cas no 38417-97-9 (Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)-)
38417-97-9 structure
Product Name:Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)-
CAS No:38417-97-9
MF:C12H7N5O8
MW:349.212682008743
CID:322238
PubChem ID:631601
Update Time:2025-04-19
Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)-
- 2,4,6-Trinitro-N-(4-nitrophenyl)aniline
- XPASUWOQXAHESL-UHFFFAOYSA-N
- DTXSID30191753
- SCHEMBL11148926
- SR-01000196345
- NS00030382
- EINECS 253-920-1
- SR-01000196345-1
- Benzenamine, 2,4,6-trinitro-N-(4-nitrophenyl)-
- 38417-97-9
- 2,4,6-Trinitro-N-(4-nitrophenyl)aniline #
- 2,4,4',6-Tetranitrodiphenylamine
-
- Inchi： 1S/C12H7N5O8/c18-14(19)8-3-1-7(2-4-8)13-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,13H
- InChI Key： XPASUWOQXAHESL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1NC1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 349.02951
- Monoisotopic Mass: 349.02946220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 518
- 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: 3.3
- Topological Polar Surface Area: 195?2
Experimental Properties
- PSA: 184.59
Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
38417-97-9 (Benzenamine,2,4,6-trinitro-N-(4-nitrophenyl)-) Related Products
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