Cas no 71965-07-6 (Acetic acid,2,2,2-trichloro-, 2-phenylethyl ester)
71965-07-6 structure
Product Name:Acetic acid,2,2,2-trichloro-, 2-phenylethyl ester
CAS No:71965-07-6
MF:C10H9Cl3O2
MW:267.53626036644
CID:565924
PubChem ID:94874
Update Time:2025-04-19
Acetic acid,2,2,2-trichloro-, 2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-trichloro-, 2-phenylethyl ester
- 2-phenylethyl 2,2,2-trichloroacetate
- 2-phenylethyl trichloroacetate
- 2-Trichloracetoxy-1-phenyl-aethan
- AC1L3T33
- AC1Q3GOA
- AG-G-82722
- CTK5D5306
- NSC6009
- phenethyl 2,2,2-trichloroacetate
- Trichlor-essigsaeure-phenaethylester
- trichloro-acetic acid phenethyl ester
- Trichloroacetic acid, 2-phenylethyl ester
- EINECS 276-227-6
- SCHEMBL25209794
- 2-Phenylethyl trichloroacetate #
- ZIOAZUXFQCBCKA-UHFFFAOYSA-N
- DTXSID70222252
- 71965-07-6
- NSC 6009
- NSC-6009
- Acetic acid, trichloro-, 2-phenylethyl ester
- NS00037310
-
- Inchi： 1S/C10H9Cl3O2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key： ZIOAZUXFQCBCKA-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCC1C=CC=CC=1)(Cl)Cl
Computed Properties
- Exact Mass: 265.96697
- Monoisotopic Mass: 265.966813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 207
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.386
- Boiling Point: 312.1°C at 760 mmHg
- Flash Point: 123.4°C
- Refractive Index: 1.548
- PSA: 26.3
- LogP: 3.14250
Acetic acid,2,2,2-trichloro-, 2-phenylethyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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