Cas no 111284-99-2 (Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-(bromomethyl)-)
![Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-(bromomethyl)- structure](https://ossimg.kuujia.com/scimg/111500/111284-99-2x500.png)
111284-99-2 structure
Product Name:Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-(bromomethyl)-
CAS No:111284-99-2
MF:C18H20Br2O2
MW:428.158204078674
CID:1203032
PubChem ID:21582044
Update Time:2025-04-20
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-(bromomethyl)-
- 1-(bromomethyl)-4-[4-[4-(bromomethyl)phenoxy]butoxy]benzene
- 111284-99-2
- SCHEMBL9705573
- DTXSID10616090
- 1,1'-[Butane-1,4-diylbis(oxy)]bis[4-(bromomethyl)benzene]
-
- Inchi： 1S/C18H20Br2O2/c19-13-15-3-7-17(8-4-15)21-11-1-2-12-22-18-9-5-16(14-20)6-10-18/h3-10H,1-2,11-14H2
- InChI Key： QHWJBJKRNUGZQP-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1)OCCCCOC1C=CC(CBr)=CC=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: 244
- 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[4-(bromomethyl)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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