≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | C1=C(N=C(N=C1Cl)CO)Cl |
|---|---|
| IUPAC Name | (4,6-dichloropyrimidin-2-yl)methanol |
| InChIKey | NYUNBUWGWXSQGF-UHFFFAOYSA-N |
| INCHI | 1S/C5H4Cl2N2O/c6-3-1-4(7)9-5(2-10)8-3/h1,10H,2H2 |
| Isomeric SMILES | C1=C(N=C(N=C1Cl)CO)Cl |
| Molecular Weight | 179 |
| Reaxy-Rn | 35093514 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35093514&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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Boil Point(°C) | 274.1±30.0℃(Predicted) |
|---|---|
| Molecular Weight | 179.000 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.97 Da |
| Monoisotopic Mass | 177.97 Da |
| Topological Polar Surface Area | 46.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 104.000 |
| 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 |
