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5-Chloro-2-Methoxyaniline
CAS: 95-03-4 | C7H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-03-4
Molecular Formula:
C7H8ClNO
Molecular Mass:
157.60 g/mol
Names and Synonyms:
5-Chloro-2-Methoxyaniline
Benzenamine, 5-chloro-2-methoxy-
o-Anisidine, 5-chloro-
5-Chloro-2-methoxybenzenamine
5-Chloro-o-anisidine
C.I. 37120, free base
Tulabase Fast Red R
Tulabase Fast Red RC
5-Chloro-2-methoxyaniline
2-Amino-4-chloro-1-methoxybenzene
2-Methoxy-5-chloroaniline
1-Amino-5-chloro-2-methoxybenzene
2-Amino-4-chloroanisole
4-Chloro-2-aminoanisole
NSC 6114
(5-Chloro-2-methoxyphenyl)amine
Identifiers:
SMILES:
COc1ccc(Cl)cc1N
InChI:
InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
Key Properties
Melting Point
45-46 °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 | 157.60 g/mol | CAS Common Chemistry |
| 157.6 g/mol | RDKit | |
| 157.029441556 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(OC)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WBSMIPLNPSCJFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C | CAS Common Chemistry |
| Name | 5-Chloro-2-methoxyaniline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.9307999999999998 | RDKit |
| Molar Refractivity | 42.41640000000001 | RDKit |
