Cas no 139291-82-0 (Benzenamine, 4-fluoro-2-(trifluoromethyl)-, hydrochloride)
139291-82-0 structure
Product Name:Benzenamine, 4-fluoro-2-(trifluoromethyl)-, hydrochloride
CAS No:139291-82-0
MF:C7H6ClF4N
MW:215.57585477829
CID:1265325
PubChem ID:23371977
Update Time:2025-04-20
Benzenamine, 4-fluoro-2-(trifluoromethyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-fluoro-2-(trifluoromethyl)-, hydrochloride
- Benzenamine, 4-fluoro-2-(trifluoromethyl)-, hydrochloride (1:1)
- SCHEMBL8996706
- 4-fluoro-2-(trifluoromethyl)aniline hydrochloride
- DS-000911
- A900846
- SBCBKDYEWBJENV-UHFFFAOYSA-N
- 4-fluoro-2-(trifluoromethyl)anilinehydrochloride
- 139291-82-0
-
- Inchi： 1S/C7H5F4N.ClH/c8-4-1-2-6(12)5(3-4)7(9,10)11;/h1-3H,12H2;1H
- InChI Key： SBCBKDYEWBJENV-UHFFFAOYSA-N
- SMILES： Cl.FC(C1C=C(C=CC=1N)F)(F)F
Computed Properties
- Exact Mass: 215.01258
- Monoisotopic Mass: 215.0124895g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 156
- 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-fluoro-2-(trifluoromethyl)-, hydrochloride Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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