≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504757050 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757050 |
| Canonical Smiles | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Br |
| IUPAC Name | 1-bromo-4-nitro-2-(trifluoromethyl)benzene |
| InChIKey | SXEQQBBOAMHOID-UHFFFAOYSA-N |
| INCHI | 1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Br |
| WGK Germany | 3 |
| Molecular Weight | 270 |
| Beilstein | 2460260 |
| Reaxy-Rn | 2460260 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2460260&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl fluoride - Organobromide - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L1227037 | Certificate of Analysis | Feb 05, 2026 | B120153 |
| K2526122 | Certificate of Analysis | Nov 29, 2025 | B120153 |
| D2225093 | Certificate of Analysis | Oct 17, 2025 | B120153 |
| F1820004 | Certificate of Analysis | Aug 15, 2025 | B120153 |
| I2306121 | Certificate of Analysis | Jun 10, 2025 | B120153 |
| I2306122 | Certificate of Analysis | Jun 10, 2025 | B120153 |
| I2306123 | Certificate of Analysis | Jun 10, 2025 | B120153 |
| D1811086 | Certificate of Analysis | Aug 02, 2023 | B120153 |
| D1811088 | Certificate of Analysis | Aug 02, 2023 | B120153 |
| C2313511 | Certificate of Analysis | Mar 20, 2023 | B120153 |
| D2225069 | Certificate of Analysis | Feb 16, 2022 | B120153 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | >110°(230°F) |
| Boil Point(°C) | 87-88°C/3mm |
| Melt Point(°C) | 41-45°C |
| Molecular Weight | 270.000 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 268.93 Da |
| Monoisotopic Mass | 268.93 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
