2-Ethoxyethyl trichloroacetate
Basic information
- CAS
30668-97-4- Standard SMILES
CCOCCOC(=O)C(Cl)(Cl)Cl- InChIKey
LEGOWVFXOHMHKG-UHFFFAOYSA-N- Molecular formula
- C6H9Cl3O3
- Average molar mass
- 235.5 g/mol
- Monoisotopic mass
- 233.961727
Names & identifiers
- Preferred name
- 2-Ethoxyethyl trichloroacetate
- IUPAC
- 2-ethoxyethyl 2,2,2-trichloroacetate
- English name
- Trichloroacetic acid 2-ethoxyethyl ester
- Molecular formula
- C6H9Cl3O3
- Molecular weight
- 235.49
Names & synonyms
30668-97-42-Ethoxyethyl trichloroacetate2-ethoxyethyl 2,2,2-trichloroacetateTrichloroacetic Acid 2-Ethoxyethyl EsterAcetic acid, 2,2,2-trichloro-, 2-ethoxyethyl esterMFCD00191691TRICHLOROACETICACID2-ETHOXYETHYLESTERSCHEMBL9254594LEGOWVFXOHMHKG-UHFFFAOYSA-DTXSID00338234SY054913F87282
Show more names
TrichloroaceticacidethoxyethylesterTrichloroacetic Acid 2-Ethoxyethyl Ester Ethylene Glycol Monoethyl Ether Trichloroacetate
Ethylene Glycol Monoethyl Ether TrichloroacetateF865946InChI=1/C6H9Cl3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3
Database identifiers
- CAS
30668-97-4- PubChem CID
- 547792
- DTXSID
DTXSID00338234- Nikkaji
- J534.190F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 250.8 · 250.8±35.0 °C(Predicted)
- Density
- 1.32 · 1.32
- refractive index
- 1.451 · 1.4510-1.4560
- form
- clear liquid
- color
- Colorless to Orange to Green
- HS Code
- 2934.1 · 2934.10.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934.10.9000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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