Cas no 90483-69-5 (Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester)
![Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester structure](https://ossimg.kuujia.com/scimg/90500/90483-69-5x500.png)
90483-69-5 structure
Product Name:Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester
CAS No:90483-69-5
MF:C9H5Cl3N2OS
MW:295.57279753685
CID:814894
PubChem ID:185025
Update Time:2025-04-19
Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester
- [4-[(2,2,2-trichloroacetyl)amino]phenyl] thiocyanate
- 4-(2,2,2-Trichloroacetamido)phenyl thiocyanate
- Thiocyanic acid, 4-((trichloroacetyl)amino)phenyl ester
- DTXSID70920367
- 90483-69-5
-
- Inchi： 1S/C9H5Cl3N2OS/c10-9(11,12)8(15)14-6-1-3-7(4-2-6)16-5-13/h1-4H,(H,14,15)
- InChI Key： KXLDJGDOFZOXQF-UHFFFAOYSA-N
- SMILES： ClC(C(NC1C=CC(=CC=1)SC#N)=O)(Cl)Cl
Computed Properties
- Exact Mass: 293.919
- Monoisotopic Mass: 293.919
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 302
- 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: 3.5
- Topological Polar Surface Area: 78.2?2
Experimental Properties
- Density: 1.58
- Boiling Point: 426.7°Cat760mmHg
- Flash Point: 211.8°C
- Refractive Index: 1.635
Thiocyanic acid,4-[(2,2,2-trichloroacetyl)amino]phenyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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