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Benzenamine, 5-Chloro-2-Methoxy-, Hydrochloride (1:1)
CAS: 4274-03-7 | C7H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4274-03-7
Molecular Formula:
C7H9Cl2NO
Molecular Weight:
194.061 g/mol
Names and Synonyms:
Benzenamine, 5-Chloro-2-Methoxy-, Hydrochloride (1:1)
Benzenamine, 5-chloro-2-methoxy-, hydrochloride (1:1)
o-Anisidine, 5-chloro-, hydrochloride
Benzenamine, 5-chloro-2-methoxy-, hydrochloride
C.I. 37120
Amarthol Fast Red R Base
Amarthol Fast Red RC Base
Amarthol Fast Red RC Salt
Azobase CAS
Azoene Fast Red RC Base
Azoene Fast Red RC Salt
Azogene Fast Scarlet P
Brown Base Ciba III
Brown Base Irga III
Brown Salt Ciba III
Brown Salt Irga III
5-Chloro-o-anisidine, hydrochloride
Daito Red Base RC
Devol Brown Salt C
Devol Red J
Diazo Fast Red RC
Fast Red R Base
Fast Red 4CA Base
Fast Red Base RC
Fast Red Base RS
Fast Red MCA Base
Fast Red RC Salt
Fast Red RS Salt
Fast Red 4CA Salt
Fast Red Salt RC
Fast Red Salt RCN
Hiltonil Fast Red RC Base
Hiltosal Fast Red RC Salt
Hindamine Red R
Hindasol Red RC
Kako Red RC Base
Kambamine Red RC Base
Mitsui Fast Red RC Base
Natasol Fast Red RC Salt
Neutrosel Red RSVA
Red Base Ciba I
Red Base Irga I
Red Base NRC
Red RCS Salt
Red Salt Ciba I
Sanyo Fast Red RC Base
Spectrolene Red RC
Stabamine Red RC
2-Methoxy-5-chloroaniline hydrochloride
5-Chloro-2-methoxyaniline hydrochloride
Identifiers:
SMILES:
COc1ccc(Cl)cc1N.Cl
InChI:
InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 194.06 g/mol | Legacy Database |
| cas-canonical-smile | Cl.ClC1=CC=C(OC)C(N)=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ASEYMHNCCXSHIL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Benzenamine, 5-chloro-2-methoxy-, hydrochloride (1:1) None | Legacy Database |
| LogP | 2.3526000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 194.061 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 193.006119268 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.664400000000015 | RDKit |
