Cas no 89353-92-4 ((4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one)
89353-92-4 structure
Product Name:(4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
CAS No:89353-92-4
MF:C10H12BrCl3O
MW:334.464679718018
CID:1941192
PubChem ID:6442655
Update Time:2025-04-21
(4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one Chemical and Physical Properties
Names and Identifiers
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- (4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one
- 89353-92-4
-
- Inchi: 1S/C10H12BrCl3O/c1-6(2)9(15)7(13)4-10(3,14)8(11)5-12/h4,8H,1,5H2,2-3H3/b7-4-/t8-,10+/m1/s1
- InChI Key: FGDONCJPOYFCKW-SDXJJSEUSA-N
- SMILES: Br[C@H](CCl)[C@@](/C=C(/C(C(=C)C)=O)\Cl)(C)Cl
Computed Properties
- Exact Mass: 331.913711
- Monoisotopic Mass: 331.913711
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 4.2
Experimental Properties
- Density: 1.474
- Boiling Point: 372.1°C at 760 mmHg
- Flash Point: 178.9°C
- Refractive Index: 1.53
(4Z,6S,7R)-7-bromo-4,6,8-trichloro-2,6-dimethylocta-1,4-dien-3-one Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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