Cas no 31422-61-4 (2-Propanone,tetrachloro- (9CI))
31422-61-4 structure
Product Name:2-Propanone,tetrachloro- (9CI)
CAS No:31422-61-4
MF:C3H2Cl4O
MW:195.859377384186
CID:306386
PubChem ID:28188
Update Time:2025-04-19
2-Propanone,tetrachloro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,tetrachloro- (9CI)
- BRN 1756047
- NS00007721
- EINECS 241-075-1
- HY-133629
- 1,1,1,3-tetrachloropropan-2-one
- SCHEMBL1457226
- 1,1,1,3-tetrachloro-propan-2-one
- 1,1,1,3-TETRACHLOROACETONE
- 31422-61-4
- CS-0128455
- Tetrachloraceton
- DTXSID6021662
- 1,1,1,3-Tetrachloropropanone
- 16995-35-0
- 2-Propanone, tetrachloro-
- 2-Propanone, 1,1,1,3-tetrachloro-
- 1,1,1,3-Tetrachloro-2-propanone
- AKOS040756991
-
- Inchi： 1S/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2
- InChI Key： MSZQBKOLHPDFFD-UHFFFAOYSA-N
- SMILES： ClC(C(CCl)=O)(Cl)Cl
Computed Properties
- Exact Mass: 195.883
- Monoisotopic Mass: 193.886
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 93.9
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.4
Experimental Properties
- Density: 1.621
- Melting Point: 65.0 °C
- Boiling Point: 171.4°Cat760mmHg
- Flash Point: 63.8°C
- Refractive Index: 1.497
2-Propanone,tetrachloro- (9CI) Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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