Cas no 13425-80-4 (Acetic acid,2,2-dichloro-, ion(1-))
13425-80-4 structure
Product Name:Acetic acid,2,2-dichloro-, ion(1-)
Acetic acid,2,2-dichloro-, ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2-dichloro-, ion(1-)
- Dichloroacetate
- 2-methylprop-2-enamide
- ACETICACID,DICHLORO-,ION(1-)
- A839686
- 2,2-bis(chloranyl)ethanoate
- Ion Chromatography Standard: Dichloroacetate @ 500 microg/mL in H2O
- 2,2-dichloroacetate
- CHEBI:28240
- BRN 3903873
- Dichloroacetic acid ion(1-)
- NCGC00241105-01
- NS00075431
- 2q8h
- GTPL4518
- 13425-80-4
- Dichloroacetate ion
- Dichloracetate
- DTXSID40158610
- ACETIC ACID, DICHLORO-, ION(1-)
- DCA
- Acetic acid, 2,?2-?dichloro-?, ion(1-?); Acetic acid, dichloro-, ion(1-) (8CI,9CI); 2,2-Dichloroacetate; Dichloroacetate anion; Dichloroacetate ion; Dichloroacetate ion(1-)
- Q27077050
- STL483470
-
- Inchi： 1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1
- InChI Key： JXTHNDFMNIQAHM-UHFFFAOYSA-M
- SMILES： ClC(C(=O)[O-])Cl
Computed Properties
- Exact Mass: 126.93543
- Monoisotopic Mass: 127.943185
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 60.6
- 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: 0.9
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: Relative vapor density (air = 1): 4.4
- Melting Point: Apparently occurs in two crystal forms, mp 9.7 deg C and -4 deg C
- Boiling Point: 194°C at 760 mmHg
- Flash Point: 75.6°C
- PSA: 40.13
Acetic acid,2,2-dichloro-, ion(1-) Related Literature
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Chengmin Ji,Zhihua Sun,Shu-Quan Zhang,Tianliang Chen,Pan Zhou,Yuanyuan Tang,Sangen Zhao,Junhua Luo J. Mater. Chem. C 2014 2 6134
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Matthew J. Webb,Nick Bampos Chem. Sci. 2012 3 2351
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Oleg Palamarciuc,Miljan N. M. Milunovi?,Angela S?rbu,Elena Stratulat,Aurel Pui,Nevenka Gligorijevic,Sinisa Radulovic,Jozef Ko?í?ek,Denisa Darvasiová,Peter Rapta,Eva A. Enyedy,Ghenadie Novitchi,Sergiu Shova,Vladimir B. Arion New J. Chem. 2019 43 1340
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4. Hydrolytic removal of the chlorinated products from the oxidative free-radical-induced degradation of chloroethylenes: acid chlorides and chlorinated acetic acidsLutz Prager,Peter Dowideit,Helmut Langguth,Heinz-Peter Schuchmann,Clemens von Sonntag J. Chem. Soc. Perkin Trans. 2 2001 1641
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Vianni G. Straccia C,Cynthia B. Rivela,María B. Blanco,Mariano A. Teruel Environ. Sci.: Atmos. 2023 3 872
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acids
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