HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Methoxybenzene-1,2-diamine
NSC 521887 · hydrosulphate · 2,3-DiaMinoanisol · 2,3-Diaminoanisole · Esomeprazol Impurity 7 · Esomeprazole Impurity 29 · 3-Methoxy-2-amino-aniline · 1,2-Diamino-3-methoxybenzene
Identifiers & Physical Properties
| CAS No. | 37466-89-0 |
|---|---|
| Molecular formula | C7H10N2O |
| Average molar mass | 138.17 g/mol |
| Monoisotopic mass | 138.07931295 g/mol |
| SMILES | COc1cccc(N)c1N |
| InChIKey | BFLWXPJTAKXXKT-UHFFFAOYSA-N |
| PubChem CID | 184268 |
| EC No. | 815-861-5 |
| DTXSID | DTXSID20276664 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 61.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 108 |
| Melting point | 77-78℃ |
| Boiling point | 114-116 °C(Press: 0.5 Torr) |
| Density | 1.170±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Chloroform (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Physical state | solid |
| pKa (acidity coefficient) | 4.10±0.10(Predicted) |
| Color | Black |
| Sensitivity | Air Sensitive |
| CAS DataBase Reference | 37466-89-0 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
| Hazard class | 6.1 |
| Customs code | 2922290090 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Customs code | 2922290090 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard class | 6.1 |
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
3-Methoxy-o-phenylenediamine is used as pharmaceutical intermediate.