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4-Amino-2,4′-Dichlorodiphenyl Ether
CAS: 24900-79-6 | C12H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24900-79-6
Molecular Formula:
C12H9Cl2NO
Molecular Mass:
254.12 g/mol
Names and Synonyms:
4-Amino-2,4′-Dichlorodiphenyl Ether
Aniline, 3-chloro-4-(p-chlorophenoxy)-
Benzenamine, 3-chloro-4-(4-chlorophenoxy)-
3-Chloro-4-(4-chlorophenoxy)benzenamine
3-Chloro-4-p-chlorophenoxyaniline
3-Chloro-4-(p-chlorophenoxy)phenylamine
4-Amino-2-chlorophenyl p-chlorophenyl ether
4-Amino-2,4′-dichlorodiphenyl ether
3-Chloro-4-(4-chlorophenoxy)aniline
4-Amino-2-chlorophenyl 4-chlorophenyl ether
2,4′-Dichloro-4-aminodiphenyl ether
NSC 14501
NSC 151251
[3-Chloro-4-(4-chlorophenoxy)phenyl]amine
Identifiers:
SMILES:
Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
InChI:
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2
Key Properties
Melting Point
72-74 °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 | 254.12 g/mol | CAS Common Chemistry |
| 254.116 g/mol | RDKit | |
| 253.006119268 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(OC2=CC=C(N)C=C2Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OQOCWFFSZSSEDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72-74 °C | CAS Common Chemistry |
| Name | 4-Amino-2,4′-dichlorodiphenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 4.3679000000000014 | RDKit |
| Molar Refractivity | 67.39040000000001 | RDKit |
