Cas no 122418-73-9 (1-bromo-3,8-dichlorooxanthrene)
122418-73-9 structure
Product Name:1-bromo-3,8-dichlorooxanthrene
CAS No:122418-73-9
MF:C12H5BrCl2O2
MW:331.976900815964
CID:1216985
PubChem ID:180102
Update Time:2025-04-20
1-bromo-3,8-dichlorooxanthrene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-3,8-dichlorooxanthrene
- 1-bromo-3,8-dichloro-dibenzo-p-dioxin
- 1-bromo-3,8-dichlorodibenzo-p-dioxin
- DTXSID90153599
- KXISDFSRMWASLH-UHFFFAOYSA-N
- 122418-73-9
-
- Inchi： 1S/C12H5BrCl2O2/c13-8-3-7(15)5-11-12(8)17-10-4-6(14)1-2-9(10)16-11/h1-5H
- InChI Key： KXISDFSRMWASLH-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2=C1OC1C=C(C=CC=1O2)Cl)Cl
Computed Properties
- Exact Mass: 329.88505
- Monoisotopic Mass: 329.885
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 292
- 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
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 1.763
- Boiling Point: 395.5°C at 760 mmHg
- Flash Point: 193°C
- Refractive Index: 1.664
- PSA: 18.46
1-bromo-3,8-dichlorooxanthrene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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