Cas no 650604-04-9 (Benzene, 1,4-bis(3-iodopropyl)-)
650604-04-9 structure
Product Name:Benzene, 1,4-bis(3-iodopropyl)-
CAS No:650604-04-9
MF:C12H16I2
MW:414.064388275146
CID:408896
PubChem ID:71377455
Update Time:2025-04-19
Benzene, 1,4-bis(3-iodopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-bis(3-iodopropyl)-
- 1,4-bis(3-iodopropyl)benzene
- 650604-04-9
- DTXSID70800094
-
- Inchi： 1S/C12H16I2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h5-8H,1-4,9-10H2
- InChI Key： RMNFVLWZSYVWAG-UHFFFAOYSA-N
- SMILES： ICCCC1C=CC(=CC=1)CCCI
Computed Properties
- Exact Mass: 413.93328
- Monoisotopic Mass: 413.93415g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 112
- 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: 6.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,4-bis(3-iodopropyl)- Related Literature
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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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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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