Cas no 58495-09-3 (Benzene, pentabromo(chloromethyl)-)
58495-09-3 structure
Product Name:Benzene, pentabromo(chloromethyl)-
CAS No:58495-09-3
MF:C7H2Br5Cl
MW:521.063777446747
CID:341875
PubChem ID:57838204
Update Time:2025-04-19
Benzene, pentabromo(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, pentabromo(chloromethyl)-
- 1,2,3,4,5-pentabromo-6-(chloromethyl)benzene
- 58495-09-3
- SCHEMBL4449478
- NS00009013
- DTXSID70728087
-
- Inchi： 1S/C7H2Br5Cl/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H2
- InChI Key： UJJSQULCWJOFRO-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1CCl)Br)Br)Br)Br
Computed Properties
- Exact Mass: 515.57606
- Monoisotopic Mass: 515.57619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 162
- 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: 5.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, pentabromo(chloromethyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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