≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F)OC |
|---|---|
| InChIKey | LWTVHLFRKFPCAS-UHFFFAOYSA-N |
| INCHI | 1S/C19H17FN2O3/c1-24-17-8-6-14(11-18(17)25-2)16-7-9-19(23)22(21-16)12-13-4-3-5-15(20)10-13/h3-11H,12H2,1-2H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)F)OC |
| Molecular Weight | 340.3483 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Dimethoxybenzenes Phenoxy compounds Anisoles Pyridazinones Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyridazinone - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
| Boil Point(°C) | 479.1±55.0°C(Predicted) |
|---|---|
| Molecular Weight | 340.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 340.122 Da |
| Monoisotopic Mass | 340.122 Da |
| Topological Polar Surface Area | 51.100 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 537.000 |
| 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 |
![3(2H)-Pyridazinone， 6-(3，4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]- - ≥97% CAS No(899946-56-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/7/P769537.jpg)