Cas no 106323-84-6 (1,1'-Biphenyl,3,4,4'-trinitro-)
106323-84-6 structure
Product Name:1,1'-Biphenyl,3,4,4'-trinitro-
CAS No:106323-84-6
MF:C12H7N3O6
MW:289.200482606888
CID:152694
PubChem ID:60133
Update Time:2025-04-19
1,1'-Biphenyl,3,4,4'-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,3,4,4'-trinitro-
- 1,2-dinitro-4-(4-nitrophenyl)benzene
- 3,4,4'-Trinitrobiphenyl
- 3,4,4'-Trinitro-biphenyl
- AC1L1SM5
- ACMC-20ma1c
- BRN 3436928
- CHEMBL167576
- CTK4A4489
- 106323-84-6
- DTXSID50147575
- 1,1'-BIPHENYL, 3,4,4'-TRINITRO-
-
- Inchi： 1S/C12H7N3O6/c16-13(17)10-4-1-8(2-5-10)9-3-6-11(14(18)19)12(7-9)15(20)21/h1-7H
- InChI Key： ACCXYWNIHRFTOP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC(=C1)C1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 289.03351
- Monoisotopic Mass: 289.033485
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 418
- 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: 3.2
- Topological Polar Surface Area: 138
Experimental Properties
- Density: 1.52
- Boiling Point: 503.8°Cat760mmHg
- Flash Point: 257.8°C
- Refractive Index: 1.662
- PSA: 129.42
- LogP: 4.64780
1,1'-Biphenyl,3,4,4'-trinitro- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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