Cas no 57137-98-1 (Benzene, pentabromoiodo-)
Benzene, pentabromoiodo- structure
Product Name:Benzene, pentabromoiodo-
CAS No:57137-98-1
MF:C6Br5I
MW:598.488670349121
CID:346384
PubChem ID:13848176
Update Time:2025-04-19
Benzene, pentabromoiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, pentabromoiodo-
- 1,2,3,4,5-pentabromo-6-iodobenzene
- pentabromoiodobenzene
- SCHEMBL22802592
- 57137-98-1
- DTXSID20551180
-
- Inchi： 1S/C6Br5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key： UVPBFFIODIHJKD-UHFFFAOYSA-N
- SMILES： IC1C(=C(C(=C(C=1Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 593.4955
- Monoisotopic Mass: 593.49616g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 150
- 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
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, pentabromoiodo- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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