Cas no 64822-80-6 (1-Octen-3-one,1,1,2,4-tetrabromo-)
64822-80-6 structure
Product Name:1-Octen-3-one,1,1,2,4-tetrabromo-
CAS No:64822-80-6
MF:C8H10Br4O
MW:441.780399799347
CID:520193
PubChem ID:182451
Update Time:2025-04-19
1-Octen-3-one,1,1,2,4-tetrabromo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octen-3-one,1,1,2,4-tetrabromo-
- 1,1,2,4-tetrabromooct-1-en-3-one
- 64822-80-6
- 1,1,2,4-tetrabromo-1-octen-3-one
- 1,1,2,4-Tetrabromo-oct-1-en-3-one
- 1-Octen-3-one, 1,1,2,4-tetrabromo-
- DTXSID90983419
-
- Inchi： 1S/C8H10Br4O/c1-2-3-4-5(9)7(13)6(10)8(11)12/h5H,2-4H2,1H3
- InChI Key： LTFKWKIEPWUEFB-UHFFFAOYSA-N
- SMILES： BrC(C(/C(=C(\Br)/Br)/Br)=O)CCCC
Computed Properties
- Exact Mass: 437.7464
- Monoisotopic Mass: 437.747
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 2.165
- Boiling Point: 346°C at 760 mmHg
- Flash Point: 85.4°C
- Refractive Index: 1.599
- PSA: 17.07
1-Octen-3-one,1,1,2,4-tetrabromo- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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