Cas no 13686-37-8 (Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester)
13686-37-8 structure
Product Name:Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester
CAS No:13686-37-8
MF:C4H2Cl6O2
MW:294.775475978851
CID:171353
PubChem ID:229470
Update Time:2025-04-19
Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester
- 2,2,2-trichloroethyl 2,2,2-trichloroacetate
- 2,2,2-trichloroethyl trichloroacetate
- AC1L5HDA
- AC1Q3GVC
- AG-K-61011
- AR-1D0339
- CTK4C0522
- NSC23192
- Trichlor-essigsaeure-(2,2,2-trichlor-aethylester)
- Trichloressigsaeure-< 2,2,2-trichlor-aethylester>
- trichloro-acetic acid-(2,2,2-trichloro-ethyl ester)
- Aceticacid, trichloro-, 2,2,2-trichloroethyl ester (8CI,9CI)
- Ethanol,2,2,2-trichloro-, trichloroacetate
- NSC 23192
- Trichloroethyl trichloroacetate
- SCHEMBL986625
- DTXSID70281829
- 13686-37-8
- NSC-23192
-
- Inchi： 1S/C4H2Cl6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
- InChI Key： OVWJHIPCOQWHEU-UHFFFAOYSA-N
- SMILES： ClC(COC(C(Cl)(Cl)Cl)=O)(Cl)Cl
Computed Properties
- Exact Mass: 291.81886
- Monoisotopic Mass: 291.819
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 167
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.77
- Boiling Point: 318.6°Cat760mmHg
- Flash Point: 137.1°C
- Refractive Index: 1.529
- PSA: 26.3
Acetic acid,2,2,2-trichloro-, 2,2,2-trichloroethyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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