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Basic Description
| Synonyms | p-Bromo(trifluoromethoxy)benzene | EINECS 206-979-2 | 1-Bromo-4-(trifluoromethoxy)benzene | 1-bromo-4-(trifluoro-methoxy)benzene | 1-bromo-4-(trifluoromethoxy)-benzene | 1-bromo4-(trifluoromethoxy)benzene | p-Bromophenyl trifluoromethyl ether | Benzene, 1 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product 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. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Phenol ethers
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Bromobenzenes Aryl bromides Trihalomethanes Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organobromide - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504759080 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759080 |
| IUPAC Name | 1-bromo-4-(trifluoromethoxy)benzene |
| 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=CC(=CC=C1OC(F)(F)F)Br |
| Isomeric SMILES | C1=CC(=CC=C1OC(F)(F)F)Br |
| WGK Germany | 1 |
| Molecular Weight | 241.01 |
| Beilstein | 2046332 |
| Reaxy-Rn | 2046332 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046332&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2213237 |
Certificate of Analysis | Jul 09, 2025 | B123704 |
| A2213224 |
Certificate of Analysis | Jul 09, 2025 | B123704 |
| E2414004 |
Certificate of Analysis | Mar 26, 2024 | B123704 |
| K2110809 |
Certificate of Analysis | Aug 16, 2023 | B123704 |
| K1301070 |
Certificate of Analysis | Apr 14, 2023 | B123704 |
| C1920045 |
Certificate of Analysis | Nov 18, 2022 | B123704 |
| C1610133 |
Certificate of Analysis | Nov 17, 2022 | B123704 |
Chemical and Physical Properties
| Refractive Index | 1.461 |
|---|---|
| Flash Point(°F) | 154.4 °F |
| Flash Point(°C) | 67°C |
| Boil Point(°C) | 80°C |
| Molecular Weight | 241.000 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 239.94 Da |
| Monoisotopic Mass | 239.94 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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