HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-4-(trifluoromethoxy)benzene
4-Bromozbenzotrifluoride · P-BROMOTRIFLUOROMETHOXYBENZENE · 4-(TRIFLUOROMETHOXY)BROMOBENZENE · 4-BroMo-1-(trifluoroMethoxy)benzene · 1-Bromo-4-(trifL · TIMTEC-BB SBB006606 · 1-Bromo-4-(trifluoro · Benzene, 1-bromo-4-(trifluo
Identifiers & Physical Properties
| CAS No. | 407-14-7 |
|---|---|
| Molecular formula | C7H4BrF3O |
| Average molar mass | 241 g/mol |
| Monoisotopic mass | 239.93976 g/mol |
| SMILES | FC(F)(F)Oc1ccc(Br)cc1 |
| InChIKey | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| PubChem CID | 521008 |
| EC No. | 206-979-2 |
| DTXSID | DTXSID90193672 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 140 |
| Boiling point | 80 °C50 mm Hg(lit.) |
| Density | 1.622 g/mL at 25 °C(lit.) |
| Vapor pressure | 20 hPa (55 °C) |
| Refractive index | n20/D 1.461(lit.) |
| Flash point | 154 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | 11.7mg/l |
| Physical state | Liquid |
| Specific gravity | 1.64 |
| Color | Clear colorless to yellow |
| BRN | 2046332 |
| InChI | InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChIKey | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(OC(F)(F)F)C=C1 |
| CAS DataBase Reference | 407-14-7(CAS DataBase Reference) |
| FDA UNII | AD5CH69MK6 |
| NIST Chemistry Reference | P-bromophenyl trifluoromethyl ether(407-14-7) |
| UNSPSC Code | 12352112 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315 |
| GHS precautionary statements | P264-P280-P302+P352-P332+P313-P362+P364 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn,N,Xi |
| Risk statements (R) | 22-36/37/38-43-51/53 |
| Safety statements (S) | 26-36/37-61-37/39-36 |
| UN transport number | UN 3082 9/PG 3 |
| Water hazard class (WGK) | 1 |
| Hazard class | IRRITANTSkin Irrit. 2 |
| Customs code | 29093090 |
| Storage class | 10 - Combustible liquids |
| Toxicity | LD50 orally in Rabbit: > 2500 mg/kg |
| REACH registrations | Inactive |
Safety & Regulations
| GHS classification | DangerH302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 8 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: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159 |
| Hazard Classes and Categories | Acute Tox. 4 (70.9%)Skin Irrit. 2 (100%)Eye Irrit. 2A (83.6%)Resp. Sens. 1 (70.9%)STOT SE 3 (81.8%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 1 |
| UN transport number | UN 3082 9/PG 3 |
| Customs code | 29093090 |
| Toxicity | LD50 orally in Rabbit: > 2500 mg/kg |
| Risk statements (R) | 22-36/37/38-43-51/53 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,N,Xi |
| Safety statements (S) | 26-36/37-61-37/39-36 |
| Hazard class | IRRITANTSkin Irrit. 2 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315 |
| REACH registrations | Inactive |
| GHS precautionary statements | P264-P280-P302+P352-P332+P313-P362+P364 |
Applications & Uses
Uses
1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.
General Description
1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100°C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75°C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.