HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Diethylamino)-2-hydroxybenzaldehyde
4-(diethylamino)salicyladehyde · 4-Diethylamino-2-hydroxybenzaldehyde · 2-Hydroxy-4-diethylaminobenzaldehyde · -6- · 4(3H · 6+3) · amino)saL · 5]thieno[2
Identifiers & Physical Properties
| CAS No. | 17754-90-4 |
|---|---|
| Molecular formula | C11H15NO2 |
| Average molar mass | 193.24 g/mol |
| Monoisotopic mass | 193.11027872 g/mol |
| SMILES | CCN(CC)c1ccc(C=O)c(O)c1 |
| InChIKey | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
| PubChem CID | 87293 |
| ChEMBL | CHEMBL3561306 |
| ChEBI | CHEBI:183489 |
| EC No. | 241-745-3 |
| DTXSID | DTXSID5022271 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 180 |
| Collision Cross Section | 143.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5022271] |
| Melting point | 60-62 °C (lit.) |
| Boiling point | 329.46°C (rough estimate) |
| Density | 1.0945 (rough estimate) |
| Refractive index | 1.5041 (estimate) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (acidity coefficient) | 8.29±0.10(Predicted) |
| Physical state | Powder or Crystalline Powder |
| Color | Pale brown to pink to purple |
| Sensitivity | Air Sensitive |
| BRN | 2212234 |
| InChIKey | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
| CAS DataBase Reference | 17754-90-4(CAS DataBase Reference) |
| FDA UNII | OU5NFU4681 |
| EPA Substance Registry System | Benzaldehyde, 4-(diethylamino)-2-hydroxy- (17754-90-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 2 |
| RTECS number | CU5615150 |
| TSCA inventory status | TSCA listed |
| Customs code | 29225090 |
Safety & Regulations
| GHS classification | WarningH315 (84.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (84.5%) |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | CU5615150 |
| Customs code | 29225090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
4-(Diethylamino)salicylaldehyde was used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.
Uses
4-(Diethylamino)salicylaldehyde is usually used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.