Cas no 67627-98-9 (Benzene, 1-bromo-4-(dichloromethyl)-)
67627-98-9 structure
Product Name:Benzene, 1-bromo-4-(dichloromethyl)-
CAS No:67627-98-9
MF:C7H5BrCl2
MW:239.924599409103
CID:394446
PubChem ID:10933593
Update Time:2025-04-19
Benzene, 1-bromo-4-(dichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4-(dichloromethyl)-
- 1-bromo-4-(dichloromethyl)benzene
- SY330716
- DTXSID30448895
- 67627-98-9
- SCHEMBL11045735
-
- Inchi： 1S/C7H5BrCl2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
- InChI Key： PQYGNIRJOCANCU-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(Cl)Cl)=CC=1
Computed Properties
- Exact Mass: 237.89525
- Monoisotopic Mass: 237.89517g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 97.8
- 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: 3.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-bromo-4-(dichloromethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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