Basic information
- CAS
599-97-3- Standard SMILES
CCOC(OCC)C(Cl)(Cl)Cl- InChIKey
CGCJBAIEQANINV-UHFFFAOYSA-N- Molecular formula
- C6H11Cl3O2
- Average molar mass
- 221.5 g/mol
- Monoisotopic mass
- 219.982463
Names & identifiers
- Preferred name
- 1,1,1-Trichloro-2,2-diethoxyethane
- IUPAC
- 1,1,1-trichloro-2,2-diethoxyethane
- English name
- 1,1,1-trichloro-2,2-diethoxy-ethane
- Molecular formula
- C6H11Cl3O2
- Molecular weight
- 0
Names & synonyms
1,1,1-trichloro-2,2-diethoxyethaneEthane, 1,1,1-trichloro-2,2-diethoxy-DTXSID902086141,1,1-Trichloro-2,2-diethoxy ethaneRefChem:212937DTXCID40131105InChI=1/C6H11Cl3O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H599-97-3Chloral-diathylacetalAcetaldehyde, trichloro-, diethyl acetalSCHEMBL9714462Trichloroacetaldehyde diethyl acetal
Database identifiers
- CAS
599-97-3- PubChem CID
- 136398
- DTXSID
DTXSID90208614- Nikkaji
- J6.798I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 96.5
Physicochemical properties
- Boiling point
- 197 °C · 197°C (rough estimate)
- Density
- 1.266 · 1.2660
- refractive index
- 1.4586 · 1.4586
- CAS DataBase Reference
- 599 · 599-97-3
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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