≥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.
| Canonical Smiles | C1CCC(CC1)NC2=C(C(=C(C=C2[N+](=O)[O-])Br)F)F |
|---|---|
| IUPAC Name | 4-bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline |
| InChIKey | IOWVSUZCYPHGOP-UHFFFAOYSA-N |
| INCHI | 1S/C12H13BrF2N2O2/c13-8-6-9(17(18)19)12(11(15)10(8)14)16-7-4-2-1-3-5-7/h6-7,16H,1-5H2 |
| Isomeric SMILES | C1CCC(CC1)NC2=C(C(=C(C=C2[N+](=O)[O-])Br)F)F |
| PubChem CID | 70699817 |
| Molecular Weight | 335.1 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Bromobenzenes Cyclohexylamines Fluorobenzenes Aryl bromides Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organofluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Cyclohexylamine - Halobenzene - Secondary aliphatic/aromatic amine - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 335.140 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 334.013 Da |
| Monoisotopic Mass | 334.013 Da |
| Topological Polar Surface Area | 57.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 323.000 |
| 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 |
