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(6-chloropyrimidin-4-yl)methanol - 97%, high purity , CAS No.1025351-41-0
Discover (6-chloropyrimidin-4-yl)methanol by Aladdin Scientific in 97% for only $453.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(6-CHLOROPYRIMIDIN-4-YL)METHANOL | 1025351-41-0 | 6-CHLORO-4-HYDROXYMETHYLPYRIMIDINE | 4-Pyrimidinemethanol, 6-chloro- | MFCD20482236 | 6-Chloropyrimidine-4-methanol | SCHEMBL1660131 | (6-chloropyrimidin-4-yl)metanol | DTXSID60857193 | (6-chloro-4-pyrimidinyl)methanol | BODR
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(6-chloropyrimidin-4-yl)methanol
INCHI
InChI=1S/C5H5ClN2O/c6-5-1-4(2-9)7-3-8-5/h1,3,9H,2H2
InChIKey
BODRLAXXPQWIQM-UHFFFAOYSA-N
Smiles
C1=C(N=CN=C1Cl)CO
Isomeric SMILES
C1=C(N=CN=C1Cl)CO
Molecular Weight
144.56
Reaxy-Rn
18593735
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18593735&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
144.560 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
144.009 Da
Monoisotopic Mass
144.009 Da
Topological Polar Surface Area
46.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
91.000
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
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