Cas no 90127-93-8 (Benzene, 1,1',1''-(4-bromobutylidyne)tris-)
90127-93-8 structure
Product Name:Benzene, 1,1',1''-(4-bromobutylidyne)tris-
CAS No:90127-93-8
MF:C22H21Br
MW:365.306145429611
CID:793672
PubChem ID:4173489
Update Time:2025-04-19
Benzene, 1,1',1''-(4-bromobutylidyne)tris- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1',1''-(4-bromobutylidyne)tris-
- (4-bromo-1,1-diphenylbutyl)benzene
- 90127-93-8
- DTXSID80400266
- AKOS024430234
-
- Inchi： 1S/C22H21Br/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2
- InChI Key： GISVRARSKZEERH-UHFFFAOYSA-N
- SMILES： BrCCCC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 364.083
- Monoisotopic Mass: 364.083
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 273
- 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: 6.8
- Topological Polar Surface Area: 0?2
Benzene, 1,1',1''-(4-bromobutylidyne)tris- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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