HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Morpholinobenzaldehyde
4-(4-FORMYLPHENYL)MORPHOLINE · 4-(4-MORPHOLINYL)BENZALDEHYDE · 4-MORPHOLINOBENZENECARBALDEHYDE · 4-MORPHOLIN-4-YL-BENZALDEHYDE · AKOS BC-2976 · AKOS BBS-00004794 · BUTTPARK 98\50-29 · IFLAB-BB F1274-0239
Identifiers & Physical Properties
| CAS No. | 1204-86-0 |
|---|---|
| Molecular formula | C11H13NO2 |
| Average molar mass | 191.23 g/mol |
| Monoisotopic mass | 191.09462866 g/mol |
| SMILES | O=Cc1ccc(N2CCOCC2)cc1 |
| InChIKey | FOAQOAXQMISINY-UHFFFAOYSA-N |
| PubChem CID | 291349 |
| ChEMBL | CHEMBL1874107 |
| EC No. | 895-182-9 |
| DTXSID | DTXSID30303076 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 182 |
| Melting point | 65-69 °C |
| Boiling point | 365.5±37.0 °C(Predicted) |
| Density | 1.163±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 1.87±0.40(Predicted) |
| Color | Light yellow to Yellow to Orange |
| CAS DataBase Reference | 1204-86-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS06,GHS08,GHS02 |
| Signal word | Danger |
| GHS hazard statements | H331-H302-H315-H318-H361-H370-H372-H317-H341-H351-H412-H226 |
| GHS precautionary statements | P501-P273-P272-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-24/25 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29349990 |
Safety & Regulations
| GHS classification | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29349990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06,GHS08,GHS02 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-24/25 |
| Hazard class | IRRITANT |
| GHS hazard statements | H331-H302-H315-H318-H361-H370-H372-H317-H341-H351-H412-H226 |
| GHS precautionary statements | P501-P273-P272-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P311-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
Applications & Uses
Uses
4-Morpholinobenzaldehyde is mainly used as a raw material for organic synthesis. It can be used to prepare dihydrotetrazolopyrimidine derivatives (ethyl 5-methyl-7-(4-morpholinophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate), coumarin-based chalcone derivatives ((E)-3-[3-(4-(4-morpholinophenyl)acryloyl]-2H-chromen-2-one) and Ru(II) polypyridine complexes, among others.