Cas no 28804-67-3 (Benzene,tetrachloronitro- (6CI,7CI,9CI))
28804-67-3 structure
Product Name:Benzene,tetrachloronitro- (6CI,7CI,9CI)
CAS No:28804-67-3
MF:C6HCl4NO2
MW:260.889637708664
CID:264698
Update Time:2024-01-27
Benzene,tetrachloronitro- (6CI,7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,tetrachloronitro- (6CI,7CI,9CI)
- 1,2,3,4-tetrachloro-5-nitrobenzene
- Benzene, tetrachloronitro- (9CI)
- NSC 57595
- Tetrachloronitrobenzene
- Tetrachloronitrobenzene (VAN)
-
- Inchi： 1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
- InChI Key： MTBYTWZDRVOMBR-UHFFFAOYSA-N
- SMILES： C1([N+]([O-])=O)=CC(Cl)=C(Cl)C(Cl)=C1Cl
Computed Properties
- Exact Mass: 258.87633
- Monoisotopic Mass: 258.876
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 195
- 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: 3.9
- Topological Polar Surface Area: 45.8A^2
Experimental Properties
- Density: 1.8
- Melting Point: 99.5 deg C
- Boiling Point: 210 to 212° F (NTP, 1992)
- Flash Point: °C
- Refractive Index: 1.62
- PSA: 43.14
- LogP: 2.62670
Benzene,tetrachloronitro- (6CI,7CI,9CI) Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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