Cas no 847450-36-6 (1,4-Bis(bromomethyl)-2,5-bis(trifluoromethyl)benzene)
847450-36-6 structure
Product Name:1,4-Bis(bromomethyl)-2,5-bis(trifluoromethyl)benzene
CAS No:847450-36-6
MF:C10H6Br2F6
MW:399.953062534332
CID:2805803
PubChem ID:59260576
Update Time:2025-04-21
1,4-Bis(bromomethyl)-2,5-bis(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Bis(trifluoromethyl)-2,5-dibromomethylbenzene
- SCHEMBL2954134
- DTXSID20731384
- 1,4-Bis(bromomethyl)-2,5-bis(trifluoromethyl)benzene
- 847450-36-6
-
- Inchi： 1S/C10H6Br2F6/c11-3-5-1-7(9(13,14)15)6(4-12)2-8(5)10(16,17)18/h1-2H,3-4H2
- InChI Key： UKPAVOMAVATINO-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(F)(F)F)C(CBr)=CC=1C(F)(F)F
Computed Properties
- Exact Mass: 399.87199Da
- Monoisotopic Mass: 397.87404Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 4.8
- Topological Polar Surface Area: 0?2
1,4-Bis(bromomethyl)-2,5-bis(trifluoromethyl)benzene Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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