Cas no 6950-45-4 (1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro-)
6950-45-4 structure
Product Name:1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro-
CAS No:6950-45-4
MF:C14H6Cl6N2O4
MW:478.926437854767
CID:523930
PubChem ID:248529
Update Time:2025-04-19
1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro-
- 1,3,5-trichloro-2-methyl-4-nitro-6-(2,4,6-trichloro-3-methyl-5-nitrophenyl)benzene
- 2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitrobiphenyl
- AC1L6MJN
- AC1Q3Q4T
- AG-J-57705
- AR-1D0591
- CTK5D0200
- NSC65751
- NSC-65751
- Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene)
- 6950-45-4
- DTXSID70289946
-
- Inchi： 1S/C14H6Cl6N2O4/c1-3-7(15)5(11(19)13(9(3)17)21(23)24)6-8(16)4(2)10(18)14(12(6)20)22(25)26/h1-2H3
- InChI Key： RKMYVKBGFHNXFA-UHFFFAOYSA-N
- SMILES： ClC1C(C)=C(C(=C(C=1C1C(=C(C(=C(C)C=1Cl)Cl)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 475.84618
- Monoisotopic Mass: 475.846
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 513
- 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: 7.7
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 1.694
- Boiling Point: 504°Cat760mmHg
- Flash Point: 258.6°C
- Refractive Index: 1.648
- PSA: 86.28
- LogP: 8.75360
1,1'-Biphenyl,2,2',4,4',6,6'-hexachloro-3,3'-dimethyl-5,5'-dinitro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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