HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzaldehyde, 3-amino-
3-Formylaniline · 3-AMINOBENALDEHYDE · M-AMINOBENZALDEHYDE · 3-AMINOBENZALDEHYDE · 3-amino-benzaldehyd · Benzaldehyde,3-amino- · META-AMINOBENZALDEHYDE · Erlotinib Impurity 122

Identifiers & Physical Properties
| CAS No. | 1709-44-0 |
|---|---|
| Molecular formula | C7H7NO |
| Average molar mass | 121.14 g/mol |
| Monoisotopic mass | 121.05276384 g/mol |
| SMILES | Nc1cccc(C=O)c1 |
| InChIKey | SIXYIEWSUKAOEN-UHFFFAOYSA-N |
| PubChem CID | 74366 |
| ChEMBL | CHEMBL3884023 |
| EC No. | 216-968-4 |
| DTXSID | DTXSID0061901 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 103 |
| Melting point | 28-30 °C |
| Boiling point | 270.3±23.0 °C(Predicted) |
| Density | 1.171±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 3.39±0.10(Predicted) |
| EPA Substance Registry System | Benzaldehyde, 3-amino- (1709-44-0) |
| GHS pictogram | GHS06,GHS08,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301+H311+H331-H317-H373-H411 |
| GHS precautionary statements | P273-P280-P301+P310 |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| TSCA inventory status | TSCA listed |
|---|---|
| Signal word | Danger |
| GHS pictogram | GHS06,GHS08,GHS09 |
| GHS hazard statements | H301+H311+H331-H317-H373-H411 |
| GHS precautionary statements | P273-P280-P301+P310 |
Applications & Uses
Uses
3-AMINOBENZALDEHYDE POLYMER can be used as an intermediate in organic synthesis.