6-Chloro-4-hydroxy-2-methylpyrimidine - ≥97% , CAS No.17551-52-9

CAS: 17551-52-9 Cat. No.: C167948 Fórmula: C₅H₅ClN₂O Peso molecular: 144.561 Número EC: 622-669-3

GRADE & PURITY ≥97%

Synonyms

6-chloro-2-methylpyrimidin-4-ol | A1-00106 | AP-501/43400472 | NCGC00015121-13 | SY104238 | AKOS005073570 | 4(3H)-Pyrimidinone, 6-chloro-2-methyl- | J-518533 | 6-Chloro-2-Methyl-4-Pyrimidinol | DTXSID00304414 | 6-chloro-2-methyl-1H-pyrimidin-4-one | BBL10

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-chloro-2-methylpyrimidin-4-ol | A1-00106 | AP-501/43400472 | NCGC00015121-13 | SY104238 | AKOS005073570 | 4(3H)-Pyrimidinone, 6-chloro-2-methyl- | J-518533 | 6-Chloro-2-Methyl-4-Pyrimidinol | DTXSID00304414 | 6-chloro-2-methyl-1H-pyrimidin-4-one | BBL10

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488202925

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202925

Sonrisas canónicas

CC1=NC(=CC(=O)N1)Cl

IUPAC Name

4-chloro-2-methyl-1H-pyrimidin-6-one

InChIKey

QNANRGHPXMUJQC-UHFFFAOYSA-N

INCHI

1S/C5H5ClN2O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H,7,8,9)

Isómeros SMILES

CC1=NC(=CC(=O)N1)Cl

Peso molecular

144.561

Reaxy-Rn

3505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 144.560 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.009 Da
• Monoisotopic Mass: 144.009 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 207.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17551-52-9, the molecular formula is C5H5ClN2O, and the molecular weight is 144.561 g/mol. InChIKey QNANRGHPXMUJQC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.