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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)
Synonym
Benzenamine, 5-chloro-2-methoxy-, hydrochloride (1:1)
Synonym
o-Anisidine, 5-chloro-, hydrochloride
Synonym
Benzenamine, 5-chloro-2-methoxy-, hydrochloride
Synonym
C.I. 37120
Synonym
Amarthol Fast Red R Base
Synonym
Amarthol Fast Red RC Base
Synonym
Amarthol Fast Red RC Salt
Synonym
Azobase CAS
Synonym
Azoene Fast Red RC Base
Synonym
Azoene Fast Red RC Salt
Synonym
Azogene Fast Scarlet P
Synonym
Brown Base Ciba III
Synonym
Brown Base Irga III
Synonym
Brown Salt Ciba III
Synonym
Brown Salt Irga III
Synonym
5-Chloro-o-anisidine, hydrochloride
Synonym
Daito Red Base RC
Synonym
Devol Brown Salt C
Synonym
Devol Red J
Synonym
Diazo Fast Red RC
Synonym
Fast Red R Base
Synonym
Fast Red 4CA Base
Synonym
Fast Red Base RC
Synonym
Fast Red Base RS
Synonym
Fast Red MCA Base
Synonym
Fast Red RC Salt
Synonym
Fast Red RS Salt
Synonym
Fast Red 4CA Salt
Synonym
Fast Red Salt RC
Synonym
Fast Red Salt RCN
Synonym
Hiltonil Fast Red RC Base
Synonym
Hiltosal Fast Red RC Salt
Synonym
Hindamine Red R
Synonym
Hindasol Red RC
Synonym
Kako Red RC Base
Synonym
Kambamine Red RC Base
Synonym
Mitsui Fast Red RC Base
Synonym
Natasol Fast Red RC Salt
Synonym
Neutrosel Red RSVA
Synonym
Red Base Ciba I
Synonym
Red Base Irga I
Synonym
Red Base NRC
Synonym
Red RCS Salt
Synonym
Red Salt Ciba I
Synonym
Sanyo Fast Red RC Base
Synonym
Spectrolene Red RC
Synonym
Stabamine Red RC
Synonym
2-Methoxy-5-chloroaniline hydrochloride
Synonym
5-Chloro-2-methoxyaniline hydrochloride
Synonym
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3526000000000002 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.664400000000015 | RDKit |