Cas no 5472-07-1 ( )
structure
Product Name:
CAS No:5472-07-1
MF:C32H25Br
MW:489.444907903671
CID:942699
PubChem ID:410310
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-bromo-phenyl)-1,1,1,2-tetraphenyl-ethane; NSC27944; AC1L8YTX; 2-(2-Brom-phenyl)-1,1,1,2-tetraphenyl-aethan;
- 5472-07-1
- DTXSID70328440
- NSC-27944
- 1-bromo-2-(1,2,2,2-tetraphenylethyl)benzene
- NSC27944
-
-
- Inchi： 1S/C32H25Br/c33-30-24-14-13-23-29(30)31(25-15-5-1-6-16-25)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,31H
- InChI Key： LTTYLNKBOCWFBK-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(C1C=CC=CC=1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 488.11400
- Monoisotopic Mass: 488.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 33
- Rotatable Bond Count: 6
- Complexity: 514
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.254
- Boiling Point: 494.2°C at 760 mmHg
- Flash Point: 237°C
- Refractive Index: 1.641
- PSA: 0.00000
- LogP: 8.61560
Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
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
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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