Cas no 157554-50-2 (1,2-Benzenediamine, 4-chloro-3-(trifluoromethyl)-)
157554-50-2 structure
Product Name:1,2-Benzenediamine, 4-chloro-3-(trifluoromethyl)-
CAS No:157554-50-2
MF:C7H6ClF3N2
MW:210.584150791168
CID:1334996
Update Time:2024-08-18
1,2-Benzenediamine, 4-chloro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediamine, 4-chloro-3-(trifluoromethyl)-
- 6-Chloro-2,3-diaminobenzotrifluoride
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- Inchi： 1S/C7H6ClF3N2/c8-3-1-2-4(12)6(13)5(3)7(9,10)11/h1-2H,12-13H2
- InChI Key： AUPHXZAJQVBKMK-UHFFFAOYSA-N
- SMILES： C1(N)=CC=C(Cl)C(C(F)(F)F)=C1N
Computed Properties
- Exact Mass: 210.01728
Experimental Properties
- Density: 1.510±0.06 g/cm3(Predicted)
- Boiling Point: 300.4±42.0 °C(Predicted)
- PSA: 52.04
- pka: 2.30±0.10(Predicted)
1,2-Benzenediamine, 4-chloro-3-(trifluoromethyl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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