HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-4-ethylbenzene
1-BROMO-4-ETHYLBENZENE · 2PBr · NSC 60144 · 1-Bromo-4-ethyL · 4-Bromethylbenzol · p-Bromethylbenzol · Ethyl broMobenzene · 4-Bromoethylbenzen
Identifiers & Physical Properties
| CAS No. | 1585-07-5 |
|---|---|
| Molecular formula | C8H9Br |
| Average molar mass | 185.06 g/mol |
| Monoisotopic mass | 183.98876239 g/mol |
| SMILES | CCc1ccc(Br)cc1 |
| InChIKey | URFPRAHGGBYNPW-UHFFFAOYSA-N |
| PubChem CID | 15313 |
| ChEMBL | CHEMBL3188177 |
| EC No. | 216-439-8 |
| DTXSID | DTXSID0029218 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 72.6 |
| SpringerMaterials Properties | Boiling point |
| Melting point | -43°C |
| Boiling point | 204 °C(lit.) |
| Density | 1.343 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.544(lit.) |
| Flash point | 147 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Chloroform, Ethyl Acetate, MethanolInsoluble in water. |
| Physical state | Oil |
| Color | Clear Colourless |
| Specific gravity | 1.343 |
| BRN | 1856989 |
| Henry's law constant | 3.1×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | URFPRAHGGBYNPW-UHFFFAOYSA-N |
| SMILES | CCc1ccc(Br)cc1 |
| CAS DataBase Reference | 1585-07-5(CAS DataBase Reference) |
| FDA UNII | 42LI8TAT6J |
| NIST Chemistry Reference | 1-Bromo-4-ethylbenzene(1585-07-5) |
| EPA Substance Registry System | Benzene, 1-bromo-4-ethyl- (1585-07-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H315-H318 |
| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 23-24/25 |
| UN transport number | UN 2810 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29036990 |
| Storage class | 10 - Combustible liquids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 13.6% (3 of 22) of reports.WarningH315 (86.4%): 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 22 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 17-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25850Benzene, 1-bromo-4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (86.4%) |
| EPA Provisional Peer-Reviewed Toxicity Values | 1-Bromo-4-EthylbenzenePDF Document2011 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 2810 |
| Customs code | 29036990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi |
| Safety statements (S) | 23-24/25 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H318 |
| REACH registrations | Active |
| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364 |
Applications & Uses
Uses
1-Bromo-4-ethylbenzene is organo bromide with flame retardant properties.
Uses
1-Bromo-4-ethylbenzene is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Uses
Intermediates of Liquid Crystals
General Description
1-Bromo-4-ethylbenzene undergoes oxidation to give 4′-bromoacetophenone (74.3% yield).