Back to Search
2-(4-Chlorophenyl)-1,3-Dioxolane
CAS: 2403-54-5 | C9H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2403-54-5
Molecular Formula:
C9H9ClO2
Molecular Mass:
184.62 g/mol
Names and Synonyms:
2-(4-Chlorophenyl)-1,3-Dioxolane
1,3-Dioxolane, 2-(4-chlorophenyl)-
1,3-Dioxolane, 2-(p-chlorophenyl)-
2-(4-Chlorophenyl)-1,3-dioxolane
2-(p-Chlorophenyl)-1,3-dioxolane
p-Chlorobenzaldehyde cyclic ethylene acetal
p-Chlorobenzaldehyde ethylene acetal
4-Chlorobenzaldehyde ethylene glycol acetal
4-Chlorobenzaldehyde ethylene acetal
NSC 202824
2-(4-Chlorophenyl)dioxolane
Identifiers:
SMILES:
Clc1ccc(C2OCCO2)cc1
InChI:
InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
Key Properties
Boiling Point
136-139 °C @ Press: 13 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.62 g/mol | CAS Common Chemistry |
| 184.62199999999996 g/mol | RDKit | |
| 184.029107208 g/mol | RDKit | |
| Boiling Point | 136-139 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C2OCCO2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NYXNQWTXUSTEGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(4-Chlorophenyl)-1,3-dioxolane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.3853999999999997 | RDKit |
| Molar Refractivity | 46.09700000000002 | RDKit |
