Cas no 61736-05-8 (Phenanthrene, hexabromo-)
Phenanthrene, hexabromo- structure
Product Name:Phenanthrene, hexabromo-
CAS No:61736-05-8
MF:C14H4Br6
MW:651.60555934906
CID:468056
PubChem ID:21502398
Update Time:2025-04-19
Phenanthrene, hexabromo- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene, hexabromo-
- 1,2,3,4,5,6-hexabromophenanthrene
- DTXSID10615109
- 61736-05-8
- SCHEMBL11815405
-
- Inchi： 1S/C14H4Br6/c15-7-4-2-5-1-3-6-9(8(5)11(7)17)12(18)14(20)13(19)10(6)16/h1-4H
- InChI Key： GVJVHGKHBPRVGA-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C2=CC=C3C=CC(=C(C3=C21)Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 645.54112
- Monoisotopic Mass: 645.54133g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 364
- 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: 8.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Phenanthrene, hexabromo- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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