2,2,2-Trichloro-1-ethoxyethyl ethyl carbonate
Basic information
- CAS
18261-27-3- Standard SMILES
CCOC(=O)OC(OCC)C(Cl)(Cl)Cl- InChIKey
PDKPYZSLHWQFNU-UHFFFAOYSA-N- Molecular formula
- C7H11Cl3O4
- Average molar mass
- 265.5 g/mol
- Monoisotopic mass
- 263.972292
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-ethoxyethyl ethyl carbonate
- IUPAC
- ethyl (2,2,2-trichloro-1-ethoxyethyl) carbonate
- English name
- 2,2,2-trichloro-1-ethoxyethyl ethyl carbonate
- Molecular formula
- C7H11Cl3O4
- Molecular weight
- 265.52
Names & synonyms
18261-27-32,2,2-Trichloro-1-ethoxyethyl ethyl carbonateethyl (2,2,2-trichloro-1-ethoxyethyl) carbonateethyl 2,2,2-trichloro-1-ethoxyethyl carbonateEINECS 242-131-8DTXSID50939598PDKPYZSLHWQFNU-UHFFFAOYSA-NNS00051440Carbonic acid ethyl(2,2,2-trichloro-1-ethoxyethyl) ester
Database identifiers
- CAS
18261-27-3- PubChem CID
- 86690
- DTXSID
DTXSID50939598- EC Number
- 242-131-8
- Nikkaji
- J266.080F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 114 °C · 114 °C(Press: 9 Torr)
- Density
- 1.3161 g/cm3 · 1.3161 g/cm3
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Compound notes
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