4-(Chloromethyl)-2-phenyl-1,3-dioxolane
Basic information
- CAS
36236-72-3- Standard SMILES
ClCC1COC(c2ccccc2)O1- InChIKey
NPLBOQRGKONXBX-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-phenyl-1,3-dioxolane
- IUPAC
- 4-(chloromethyl)-2-phenyl-1,3-dioxolane
- English name
- 4-Chloromethyl-2-phenyl-[1,3]dioxolane
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
4-(chloromethyl)-2-phenyl-1,3-dioxolane36236-72-34-Chloromethyl-2-phenyl-1,3-dioxolaneNSC 41981AI3-319491,3-DIOXOLANE, 4-CHLOROMETHYL-2-PHENYL-NSC41981SCHEMBL15157163DTXSID009576261, 4-(chloromethyl)-2-phenyl-MFCD01730175NSC-41981
Show more names
4-Chloromethyl-2-phenyl-[1,3]dioxolane1,3-Dioxolane, 4-(chloromethyl)-2-phenyl-4-(Chloromethyl)-2-phenyl-1,3-dioxolane, mixture of diastereomers
AKOS0062779482-phenyl-4-chloromethyl-1,3-dioxolaneVS-092464-(chloromethyl)-2-phenyl-1,3-diox-olaneCS-0256491G32570EN300-6491862
Database identifiers
- CAS
36236-72-3- PubChem CID
- 37407
- DTXSID
DTXSID00957626- Nikkaji
- J83.702D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 164 °C · 164 °C(Press: 30 Torr)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…