≥99% 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 | 488187767 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187767 |
| Canonical Smiles | C1=CC(=C(C=C1C#N)Br)F |
| IUPAC Name | 3-bromo-4-fluorobenzonitrile |
| InChIKey | JKCYKISVUIVZCS-UHFFFAOYSA-N |
| INCHI | 1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1C#N)Br)F |
| WGK Germany | 3 |
| Molecular Weight | 200.01 |
| Beilstein | 8198509 |
| Reaxy-Rn | 8198509 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8198509&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 H1412163 | Certificate of Analysis | Nov 06, 2025 | B120882 |
| H1412162 | Certificate of Analysis | Nov 06, 2025 | B120882 |
| I2515656 | Certificate of Analysis | Sep 24, 2025 | B120882 |
| I2515670 | Certificate of Analysis | Sep 24, 2025 | B120882 |
| I2515683 | Certificate of Analysis | Sep 24, 2025 | B120882 |
| I2515671 | Certificate of Analysis | Sep 22, 2025 | B120882 |
| B1421079 | Certificate of Analysis | Jun 16, 2025 | B120882 |
| F2330355 | Certificate of Analysis | Apr 07, 2025 | B120882 |
| F2330356 | Certificate of Analysis | Apr 07, 2025 | B120882 |
| F2330357 | Certificate of Analysis | Apr 07, 2025 | B120882 |
| F2330358 | Certificate of Analysis | Apr 07, 2025 | B120882 |
| C2313394 | Certificate of Analysis | Mar 15, 2023 | B120882 |
| Solubility | Soluble in Methanol |
|---|---|
| Boil Point(°C) | 134-136°C/33mm |
| Melt Point(°C) | 54-58°C |
| Molecular Weight | 200.010 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 198.943 Da |
| Monoisotopic Mass | 198.943 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |
