Cas no 560086-31-9 (Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)-)
![Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)- structure](https://ossimg.kuujia.com/scimg/560500/560086-31-9x500.png)
560086-31-9 structure
Product Name:Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)-
CAS No:560086-31-9
MF:C18H20Br2O2
MW:428.158204078674
CID:350102
PubChem ID:71444905
Update Time:2025-04-19
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)-
- 1-(bromomethyl)-3-[4-[3-(bromomethyl)phenoxy]butoxy]benzene
- 1,1'-[Butane-1,4-diylbis(oxy)]bis[3-(bromomethyl)benzene]
- 560086-31-9
- DTXSID40853653
-
- Inchi： 1S/C18H20Br2O2/c19-13-15-5-3-7-17(11-15)21-9-1-2-10-22-18-8-4-6-16(12-18)14-20/h3-8,11-12H,1-2,9-10,13-14H2
- InChI Key： GZWIJICSZVXRKS-UHFFFAOYSA-N
- SMILES： BrCC1=CC=CC(=C1)OCCCCOC1C=CC=C(CBr)C=1
Computed Properties
- Exact Mass: 425.983
- Monoisotopic Mass: 425.98301g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 260
- 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: 5.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-(bromomethyl)- Related Literature
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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5. Agricultural
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