5-(4-Chlorophenyl)-2-furaldehyde
AKOS B004122 · AKOS BAR-0548 · AURORA KA-4235 · ASISCHEM N16482 · ZERENEX E/4047331 · TIMTEC-BB SBB003482 · ART-CHEM-BB B004122 · 5-(4-CHLOROPHENYL)FURFURAL
Identifiers & Physical Properties
| CAS No. | 34035-03-5 |
|---|---|
| Molecular formula | C11H7ClO2 |
| Average molar mass | 206.62 g/mol |
| Monoisotopic mass | 206.01345714 g/mol |
| SMILES | O=Cc1ccc(-c2ccc(Cl)cc2)o1 |
| InChIKey | ROJGJNINTRCMBL-UHFFFAOYSA-N |
| PubChem CID | 676184 |
| ChEMBL | CHEMBL375867 |
| EC No. | 623-617-2 |
| DTXSID | DTXSID00350254 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 199 |
| SpringerMaterials Properties | Chemical structure |
| Melting point | 128-131 °C (lit.) |
| Boiling point | 350.7±32.0 °C(Predicted) |
| Density | 1.282±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | Needles |
| Color | Pale brown |
| InChI | 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H |
| InChIKey | ROJGJNINTRCMBL-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)-c2ccc(C=O)o2 |
| CAS DataBase Reference | 34035-03-5(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-37/39 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29321900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29321900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-37/39 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.
Uses
5-(4-Chlorophenyl)furfural was used as one of the aldehydes in the synthesis of uridine-based library.
General Description
5-(4-Chlorophenyl)furfural is a furfural derivative.