HuagongsheHuagongshe Chemistry Print Report · For research reference only
4'-Bromo-3'-fluoroacetanilide
SKL787 · 3-Fluoro-4-bromoacetanilide · 4'-Bromo-3'-fluoroacetanlide · 4'-BROMO-3'-FLUOROACETANILIDE · Pigment Red 3 (Toluidine Red) · N-(4-Bromo-3-fluorophenyl)acetamide · 4'-Bromo-3'-fluoroacetanilide, 98+% · Acetamide, N-(4-bromo-3-fluorophenyl)-
Identifiers & Physical Properties
| CAS No. | 351-30-4 |
|---|---|
| Molecular formula | C8H7BrFNO |
| Average molar mass | 232.05 g/mol |
| Monoisotopic mass | 230.96950416 g/mol |
| SMILES | CC(=O)Nc1ccc(Br)c(F)c1 |
| InChIKey | GAQUWJRFYLETKX-UHFFFAOYSA-N |
| PubChem CID | 2773316 |
| EC No. | 609-068-1 |
| DTXSID | DTXSID90378366 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 176 |
| Melting point | 149-152°C |
| Boiling point | 337.9±32.0 °C(Predicted) |
| Density | 1.623±0.06 g/cm3(Predicted) |
| Storage conditions | Storage temp. 2-8°C |
| pKa (acidity coefficient) | 13.46±0.70(Predicted) |
| Physical state | powder |
| Color | White to off-white |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 22 |
| Safety statements (S) | 22-36/37/39 |
| Hazard Note | Irritant |
| Customs code | 2924297099 |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2924297099 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 22-36/37/39 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4'-Bromo-3'-fluoroacetanilide is a halogenated acetanilide that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.