Basic information
- CAS
554-21-2- Standard SMILES
O=C1OC(C(Cl)(Cl)Cl)OC1C(Cl)(Cl)Cl- InChIKey
MURYNVIRLILSCR-UHFFFAOYSA-N- Molecular formula
- C5H2Cl6O3
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 319.81351
Names & identifiers
- Preferred name
- 1,3-Dioxolan-4-one, 2,5-bis-trichloromethyl-
- IUPAC
- 2,5-bis(trichloromethyl)-1,3-dioxolan-4-one
- English name
- 1,3-Dioxolan-4-one, 2,5-bis-trichloromethyl-
- Molecular formula
- C5H2Cl6O3
- Molecular weight
- 322.79
Names & synonyms
554-21-21,3-Dioxolan-4-one, 2,5-bis-trichloromethyl-NSC 38395RefChem:2189022,5-bis(trichloromethyl)-1,3-dioxolan-4-oneNSC38395SCHEMBL11234608DTXSID00870609NSC-383951,3-Dioxolan-4-one, 2,5-bis-trichloromethyl-,
Database identifiers
- CAS
554-21-2- PubChem CID
- 136356
- DTXSID
DTXSID00870609- Nikkaji
- J11.576B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 116 °C · 116°C
- Boiling point
- 272.5 °C · 272.5°C (rough estimate)
- Density
- 1.7694 · 1.7694 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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