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Molecule
Benzenamine, 5-Chloro-2-Methoxy-, Hydrochloride (1:1)
CAS: 4274-03-7 · C7H9Cl2NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4274-03-7
- Molecular Formula
- C7H9Cl2NO
- Molecular Mass
- 194.06 g/mol
Identifiers
CAS Registry Number
4274-03-7
SMILES
COc1ccc(Cl)cc1N.Cl
InChI Key
ASEYMHNCCXSHIL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.06 g/mol | CAS Common Chemistry |
| 194.061 g/mol | RDKit | |
| 194.055 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC1=CC=C(OC)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ASEYMHNCCXSHIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenamine, 5-chloro-2-methoxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.3526000000000002 | RDKit |
| 2.3526 | RDKit | |
| 2.39 | chempirical lib | |
| Molar Refractivity | 49.664400000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 193.006119268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 194.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9Cl2NO.
