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Bis(P-Chlorophenoxy)Methane
CAS: 555-89-5 | C13H10Cl2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
555-89-5
Molecular Formula:
C13H10Cl2O2
Molecular Mass:
269.13 g/mol
Names and Synonyms:
Bis(P-Chlorophenoxy)Methane
Benzene, 1,1′-[methylenebis(oxy)]bis[4-chloro-
Methane, bis(p-chlorophenoxy)-
1,1′-[Methylenebis(oxy)]bis[4-chlorobenzene]
K 1875
Bis(p-chlorophenoxy)methane
DCPM
Oxythane
Neotran
Bis(4-chlorophenoxy)methane
NSC 6172
Mikazine
Identifiers:
SMILES:
Clc1ccc(OCOc2ccc(Cl)cc2)cc1
InChI:
InChI=1S/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2
Key Properties
Boiling Point
189-194 °C
CAS Common Chemistry
Melting Point
70.5 °C
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 | 269.13 g/mol | CAS Common Chemistry |
| 269.127 g/mol | RDKit | |
| 268.00578492 g/mol | RDKit | |
| Boiling Point | 189-194 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(OCOC2=CC=C(Cl)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=COVKSLBAQCJQMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Bis(p-chlorophenoxy)methane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 4.408700000000002 | RDKit |
| Molar Refractivity | 69.02700000000003 | RDKit |
