Cas no 821777-81-5 (Benzenamine, 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-)
821777-81-5 structure
Product Name:Benzenamine, 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-
CAS No:821777-81-5
MF:C9H6BrF6N
MW:322.045062541962
CID:697197
PubChem ID:59557088
Update Time:2025-04-19
Benzenamine, 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-
- 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
- DTXSID20732376
- 821777-81-5
- SCHEMBL3413889
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- Inchi： 1S/C9H6BrF6N/c10-5-1-2-7(17-4-8(11,12)13)6(3-5)9(14,15)16/h1-3,17H,4H2
- InChI Key： IHXOOOQNGSTFLN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(F)(F)F)C=1)NCC(F)(F)F
Computed Properties
- Exact Mass: 320.95878g/mol
- Monoisotopic Mass: 320.95878g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 4.6
- Topological Polar Surface Area: 12?2
Benzenamine, 4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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