HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-4-phenylmethoxybenzene
BENZYL 4-BROMOPHENYL ETHER · 4-BenzyL · AURORA KA-4380 · oxybromobenzene · 4-Benzyloxybromobenz · Benzyloxybromobenzene · -Benzyloxybromobenzene · 4-BENZYLOXYBROMOBENZENE
Identifiers & Physical Properties
| CAS No. | 6793-92-6 |
|---|---|
| Molecular formula | C13H11BrO |
| Average molar mass | 263.13 g/mol |
| Monoisotopic mass | 261.99933 g/mol |
| SMILES | Brc1ccc(OCc2ccccc2)cc1 |
| InChIKey | OUQSGILAXUXMGI-UHFFFAOYSA-N |
| PubChem CID | 138835 |
| EC No. | 614-179-3 |
| DTXSID | DTXSID40218142 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 169 |
| Melting point | 60-63 °C (lit.) |
| Boiling point | 166-167 °C/4 mmHg (lit.) |
| Density | 1.3883 (rough estimate) |
| Refractive index | 1.5130 (estimate) |
| Flash point | 166-167°C/3mm |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Chloroform, Methanol (Slightly, Heated) |
| Physical state | powder to crystal |
| Color | White to Orange to Green |
| BRN | 1371040 |
| InChI | InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | OUQSGILAXUXMGI-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(OCC2=CC=CC=C2)C=C1 |
| CAS DataBase Reference | 6793-92-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Benzyloxybromobenzene(6793-92-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 26-36-37 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29093090 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Inactive |
Safety & Regulations
| GHS classification | WarningH315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Status: Cease Manufacture Update: 12-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21035 |
| Hazard Classes and Categories | Skin Irrit. 2 (15.6%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29093090 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-37 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| REACH registrations | Inactive |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
1-Benzyloxy-4-Bromobenzene is used in preparation of arylalkenylpropargylamine derivatives as MAO-B inhibitors exhibiting neuroprotective action for treatment of neurodegenerative diseases.