Cas no 2903-64-2 (Benzeneacetic acid,2,4,5-trichloro-)
2903-64-2 structure
Product Name:Benzeneacetic acid,2,4,5-trichloro-
CAS No:2903-64-2
MF:C8H5Cl3O2
MW:239.48309969902
CID:257142
PubChem ID:3014144
Update Time:2025-04-19
Benzeneacetic acid,2,4,5-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2,4,5-trichloro-
- 2-(2,4,5-trichlorophenyl)acetic acid
- Caswell No. 882D
- UR02861K5R
- 2,4,5-Trichlorophenylacetic acid
- UNII-UR02861K5R
- SCHEMBL4837065
- DTXSID2041337
- NS00120852
- Q27291220
- Benzeneacetic acid, 2,4,5-trichloro-
- 2903-64-2
- 2,4,5-Trichlorobenzeneacetic acid
- EPA Pesticide Chemical Code 082603
-
- Inchi： 1S/C8H5Cl3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
- InChI Key： CVJKKZSUHFEQTR-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1CC(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 237.93565
- Monoisotopic Mass: 237.936
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 3.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.568
- Boiling Point: 353.5°C at 760 mmHg
- Flash Point: 167.6°C
- Refractive Index: 1.597
- PSA: 37.3
Benzeneacetic acid,2,4,5-trichloro- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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