Cas no 53165-95-0 (Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)-)
53165-95-0 structure
Product Name:Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)-
CAS No:53165-95-0
MF:C9H5Cl3N2O
MW:263.507798910141
CID:383832
PubChem ID:185737
Update Time:2025-04-19
Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)-
- 2,2,2-trichloro-N-(4-cyanophenyl)acetamide
- 53165-95-0
- acetamide, 2,2,2-trichloro-n-(4-cyanophenyl)-
- DTXSID80967687
- AKOS003282874
-
- Inchi： 1S/C9H5Cl3N2O/c10-9(11,12)8(15)14-7-3-1-6(5-13)2-4-7/h1-4H,(H,14,15)
- InChI Key： RWWHDWGTLIGQBC-UHFFFAOYSA-N
- SMILES： ClC(C(NC1C=CC(C#N)=CC=1)=O)(Cl)Cl
Computed Properties
- Exact Mass: 261.94695
- Monoisotopic Mass: 261.947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 284
- 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: 3.2
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.52±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 402.5°Cat760mmHg
- Flash Point: 197.2°C
- Refractive Index: 1.597
- Solubility: Almost insoluble (0.034 g/l) (25 o C),
- PSA: 52.89
Acetamide,2,2,2-trichloro-N-(4-cyanophenyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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