Cas no 3770-98-7 (1,1,1-Tribromoacetone)
1,1,1-Tribromoacetone structure
Product Name:1,1,1-Tribromoacetone
CAS No:3770-98-7
MF:C3H3Br3O
MW:294.767318964005
CID:1057939
PubChem ID:536749
Update Time:2025-04-20
1,1,1-Tribromoacetone Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1-Tribromoacetone
- 1,1,1-tribromopropan-2-one
- AKOS040758098
- CS-0128449
- DB-336889
- SCHEMBL4822982
- OHJUXYKQXTXBTR-UHFFFAOYSA-N
- 1,1,1-Tribromoacetone #
- HY-133623
- 3770-98-7
- Tribromaceton
- 1,1,1-Tribromopropanone
- DTXSID30336849
- 2-Propanone, 1,1,1-tribromo-
-
- Inchi： 1S/C3H3Br3O/c1-2(7)3(4,5)6/h1H3
- InChI Key： OHJUXYKQXTXBTR-UHFFFAOYSA-N
- SMILES： BrC(C(C)=O)(Br)Br
Computed Properties
- Exact Mass: 291.77329
- Monoisotopic Mass: 291.77340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 82.7
- 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: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1,1,1-Tribromoacetone Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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