Cas no 64785-96-2 (1-Octen-3-one,1,1,2-tribromo-)
1-Octen-3-one,1,1,2-tribromo- structure
Product Name:1-Octen-3-one,1,1,2-tribromo-
CAS No:64785-96-2
MF:C8H11Br3O
MW:362.884340524673
CID:527525
PubChem ID:182447
Update Time:2025-04-19
1-Octen-3-one,1,1,2-tribromo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octen-3-one,1,1,2-tribromo-
- 1,1,2-tribromooct-1-en-3-one
- Pentyl tribromo - vinyl ketone
- DTXSID80215094
- 1-Octen-3-one, 1,1,2-tribromo-
- 64785-96-2
-
- Inchi： 1S/C8H11Br3O/c1-2-3-4-5-6(12)7(9)8(10)11/h2-5H2,1H3
- InChI Key： CNMOSZIVTRYXIH-UHFFFAOYSA-N
- SMILES： Br/C(=C(/Br)\Br)/C(CCCCC)=O
Computed Properties
- Exact Mass: 359.83593
- Monoisotopic Mass: 359.83600g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 183
- 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
- Topological Polar Surface Area: 17.1?2
- XLogP3: 4.6
Experimental Properties
- Density: 1.905±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 315.6±42.0 oC (760 Torr),
- Flash Point: 83.6±14.4 oC,
- Refractive Index: 1.565
- Solubility: Almost insoluble (0.076 g/l) (25 o C),
- PSA: 17.07
1-Octen-3-one,1,1,2-tribromo- Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
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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