Cas no 77992-50-8 (Benzenamine, 4-bromo-3-(trifluoromethyl)-, hydrochloride)
77992-50-8 structure
Product Name:Benzenamine, 4-bromo-3-(trifluoromethyl)-, hydrochloride
CAS No:77992-50-8
MF:C7H6BrClF3N
MW:276.481450557709
CID:535131
PubChem ID:66745707
Update Time:2025-04-19
Benzenamine, 4-bromo-3-(trifluoromethyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-bromo-3-(trifluoromethyl)-, hydrochloride
- 4-bromo-3-(trifluoromethyl)aniline,hydrochloride
- 4-Bromo-3-(trifluoromethyl)aniline--hydrogen chloride (1/1)
- 77992-50-8
- SCHEMBL618359
- DTXSID30735691
- 4-bromo-3-(trifluoromethyl)aniline HCl salt
-
- Inchi： 1S/C7H5BrF3N.ClH/c8-6-2-1-4(12)3-5(6)7(9,10)11;/h1-3H,12H2;1H
- InChI Key： NLKIFOXTBSIBOT-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C=C1C(F)(F)F)N.Cl
Computed Properties
- Exact Mass: 274.93248
- Monoisotopic Mass: 274.93242g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 4-bromo-3-(trifluoromethyl)-, hydrochloride Related Literature
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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