≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 504762092 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762092 |
| Canonical Smiles | C1CN(CCN1)CC2=C(C=C(C=C2)Br)F |
| IUPAC Name | 1-[(4-bromo-2-fluorophenyl)methyl]piperazine |
| InChIKey | NRCBEINBLSTDHM-UHFFFAOYSA-N |
| INCHI | 1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2 |
| Isomeric SMILES | C1CN(CCN1)CC2=C(C=C(C=C2)Br)F |
| WGK Germany | 3 |
| Molecular Weight | 273.14 |
| Reaxy-Rn | 27791031 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27791031&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 | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines N-alkylpiperazines Fluorobenzenes Bromobenzenes Aralkylamines Aryl fluorides Aryl bromides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - N-alkylpiperazine - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| 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 |
|---|---|---|---|
 H2315289 | Certificate of Analysis | May 20, 2026 | B468206 |
| H2315290 | Certificate of Analysis | May 20, 2026 | B468206 |
| H2315291 | Certificate of Analysis | May 20, 2026 | B468206 |
| H2315292 | Certificate of Analysis | May 20, 2026 | B468206 |
| H2315293 | Certificate of Analysis | May 20, 2026 | B468206 |
| H2315294 | Certificate of Analysis | May 20, 2026 | B468206 |
| Refractive Index | 1.563 |
|---|---|
| Flash Point(°F) | >230 °F |
| Flash Point(°C) | >110 °C |
| Boil Point(°C) | 120-122 °C/0.02 mmHg |
| Molecular Weight | 273.140 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 272.032 Da |
| Monoisotopic Mass | 272.032 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
