| Pubchem Sid | 488187596 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187596 |
| Canonical Smiles | C1=CC(=C(C=C1F)Br)C#N |
| IUPAC Name | 2-bromo-4-fluorobenzonitrile |
| InChIKey | MNNDREXLRLDWEY-UHFFFAOYSA-N |
| INCHI | 1S/C7H3BrFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1F)Br)C#N |
| UN Number | 3439 |
| Molecular Weight | 200.01 |
| Reaxy-Rn | 1940597 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940597&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 |
|---|---|---|---|
 H2209060 | Certificate of Analysis | Feb 04, 2026 | B107979 |
| H2209061 | Certificate of Analysis | Feb 04, 2026 | B107979 |
| H2209062 | Certificate of Analysis | Feb 04, 2026 | B107979 |
| H2525017 | Certificate of Analysis | Aug 29, 2025 | B107979 |
| G1203051 | Certificate of Analysis | Aug 15, 2025 | B107979 |
| C2310707 | Certificate of Analysis | Dec 09, 2024 | B107979 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 77°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 |
