HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,6-Difluoro-4-methoxybenzaldehyde
5-Fluoroacetophenone · 2,6-fluoro-4-methoxybenzaldehyde · ,6-DIFLUORO-4-METHOXYBENZALDEHYDE · 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE · Benzaldehyde, 2,6-difluoro-4-methoxy- · 2,6-Difluoro-4-methoxybenzaldehyde 98% · 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE ISO 9001：2015 REACH · 3,5-Difluoro-4-formylanisole, 2,6-Difluoro-p-anisaldehyde
Identifiers & Physical Properties
| CAS No. | 256417-10-4 |
|---|---|
| Molecular formula | C8H6F2O2 |
| Average molar mass | 172.13 g/mol |
| Monoisotopic mass | 172.03358587 g/mol |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| PubChem CID | 3703713 |
| EC No. | 625-806-5 |
| DTXSID | DTXSID70395273 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 151 |
| Melting point | 73-77 °C(lit.) |
| Boiling point | 207.1±35.0 °C(Predicted) |
| Density | 1.289±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | solid |
| Color | Faint Gold |
| Sensitivity | Air Sensitive |
| InChI | 1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3 |
| InChIKey | ZYABCGOTMDPUDD-UHFFFAOYSA-N |
| SMILES | COc1cc(F)c(C=O)c(F)c1 |
| CAS DataBase Reference | 256417-10-4(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H319-H335-H315-H318 |
| GHS precautionary statements | P261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 38-41 |
| Safety statements (S) | 26-36/37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 29130000 |
| Storage class | 13 - Non Combustible Solids |
| Hazard class | Eye Dam. 1Skin Irrit. 2 |
Safety & Regulations
| GHS classification | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 3 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 | 29130000 |
| Risk statements (R) | 38-41 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39 |
| Storage class | 13 - Non Combustible Solids |
| GHS hazard statements | H319-H335-H315-H318 |
| Hazard class | Eye Dam. 1Skin Irrit. 2 |
| GHS precautionary statements | P261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338 |
Applications & Uses
Uses
2,6-Difluoro-4-methoxybenzaldehyde, is a versatile building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is shown to be involved in the preparation of potent and orally available G protein-coupled receptor 40 agonists, used the treatment of type 2 diabetes.