Cas no 54899-94-4 (1,1,3,3-tetrabromoheptan-2-one)
54899-94-4 structure
Product Name:1,1,3,3-tetrabromoheptan-2-one
CAS No:54899-94-4
MF:C7H10Br4O
MW:429.769699573517
CID:1591447
PubChem ID:185778
Update Time:2025-04-21
1,1,3,3-tetrabromoheptan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,1,3,3-tetrabromoheptan-2-one
- Heptan-2-one, 1,1,3,3-tetrabromo-
- DTXSID90203386
- 54899-94-4
- 1,1,3,3-Tetrabromo-2-heptanone
-
- Inchi： 1S/C7H10Br4O/c1-2-3-4-7(10,11)5(12)6(8)9/h6H,2-4H2,1H3
- InChI Key： YZLMJUDSGWUSTD-UHFFFAOYSA-N
- SMILES： BrC(C(C(Br)Br)=O)(CCCC)Br
Computed Properties
- Exact Mass: 425.7464
- Monoisotopic Mass: 425.747
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 156
- 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: 4.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 2.211
- Boiling Point: 355.2°C at 760 mmHg
- Flash Point: 99.5°C
- Refractive Index: 1.587
- PSA: 17.07
1,1,3,3-tetrabromoheptan-2-one Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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