≥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 | 488185084 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185084 |
| Canonical Smiles | C1=CC(=C(C=C1C#N)Br)O |
| IUPAC Name | 3-bromo-4-hydroxybenzonitrile |
| InChIKey | HLHNOIAOWQFNGW-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H |
| Isomeric SMILES | C1=CC(=C(C=C1C#N)Br)O |
| WGK Germany | 3 |
| Molecular Weight | 198.02 |
| Beilstein | 2207020 |
| Reaxy-Rn | 2207020 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207020&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 | O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Nitriles Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen 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 |
|---|---|---|---|
 F2207139 | Certificate of Analysis | Dec 10, 2025 | B120887 |
| F2207140 | Certificate of Analysis | Dec 10, 2025 | B120887 |
| H1412165 | Certificate of Analysis | Nov 07, 2025 | B120887 |
| A2416206 | Certificate of Analysis | Oct 13, 2025 | B120887 |
| A2416208 | Certificate of Analysis | Oct 13, 2025 | B120887 |
| A2416209 | Certificate of Analysis | Oct 13, 2025 | B120887 |
| H1412164 | Certificate of Analysis | Jun 16, 2025 | B120887 |
| E2326263 | Certificate of Analysis | Feb 11, 2025 | B120887 |
| C2313392 | Certificate of Analysis | Dec 10, 2024 | B120887 |
| A1402007 | Certificate of Analysis | May 09, 2023 | B120887 |
| Solubility | Insoluble in water; Soluble in Methanol |
|---|---|
| Melt Point(°C) | 154.0 to 161.0 °C |
| Molecular Weight | 198.020 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 196.948 Da |
| Monoisotopic Mass | 196.948 Da |
| Topological Polar Surface Area | 44.000 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 |
