Cas no 62874-50-4 (2-Propanone, 1,1,1,3-tetrabromo-)
62874-50-4 structure
Product Name:2-Propanone, 1,1,1,3-tetrabromo-
CAS No:62874-50-4
MF:C3H2Br4O
MW:373.663378238678
CID:429359
PubChem ID:54445199
Update Time:2025-04-19
2-Propanone, 1,1,1,3-tetrabromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1,1,1,3-tetrabromo-
- 1,1,1,3-tetrabromopropan-2-one
- DTXSID30711394
- WQZLUKNOWXXMFL-UHFFFAOYSA-N
- tetrabromoacetone
- 62874-50-4
- SCHEMBL2169853
-
- Inchi： 1S/C3H2Br4O/c4-1-2(8)3(5,6)7/h1H2
- InChI Key： WQZLUKNOWXXMFL-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)(Br)Br
Computed Properties
- Exact Mass: 369.68376
- Monoisotopic Mass: 369.68391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 93.9
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Propanone, 1,1,1,3-tetrabromo- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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