Cas no 5510-05-4 (1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole)
![1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole structure](https://ossimg.kuujia.com/scimg/6000/5510-05-4x500.png)
5510-05-4 structure
Product Name:1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole
CAS No:5510-05-4
MF:C13H8Br2N2O2S
MW:416.087820053101
CID:1592875
PubChem ID:2849375
Update Time:2025-04-21
1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole
- 1H-benzimidazole, 1-[(2,4-dibromophenyl)sulfonyl]-
- 1-[(2,4-Dibromophenyl)sulfonyl]-1H-benzimidazole; 1H-benzimidazole, 1-[(2,4-dibromophenyl)sulfonyl]-
- DTXSID10385956
- 5510-05-4
- CCG-9618
- SR-01000517141-1
- AKOS002278401
- ST047021
- 1-(2,4-dibromophenyl)sulfonylbenzimidazole
- SR-01000517141
- 1-(benzimidazolylsulfonyl)-2,4-dibromobenzene
- CBMicro_021427
- BIM-0021285.P001
-
- Inchi： 1S/C13H8Br2N2O2S/c14-9-5-6-13(10(15)7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
- InChI Key： IVHNZAWTCUEBHD-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=CC=1S(N1C=NC2C=CC=CC1=2)(=O)=O)Br
Computed Properties
- Exact Mass: 413.86734
- Monoisotopic Mass: 413.867
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 454
- 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: 4
- Topological Polar Surface Area: 60.3?2
Experimental Properties
- Density: 1.91
- Boiling Point: 543.3°C at 760 mmHg
- Flash Point: 282.4°C
- Refractive Index: 1.729
- PSA: 51.96
1-[(2,4-dibromophenyl)sulfonyl]-1H-benzimidazole Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
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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