2-Chloropyrimidin-4-ol - ≥97% , CAS No.55873-09-1

CAS: 55873-09-1 Cat. No.: C193933 Formula: C₄H₃ClN₂O Peso molecolare: 130.53

GRADE & PURITY ≥97%

Synonyms

MFCD09038284 | 4(1H)-Pyrimidinone, 2-chloro- | SY353300 | DTXSID20546511 | 2-Chloro-4(1H)-pyrimidinone | 2-Chloropyrimidin-4-ol | AC-25590 | 4(3H)-Pyrimidinone,2-chloro- | 94XAS724K9 | SY019878 | SB57680 | 2-CHLORO-4-HYDROXYPYRIMIDINE | Chlor- 6-Oxypyrimi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

MFCD09038284 | 4(1H)-Pyrimidinone, 2-chloro- | SY353300 | DTXSID20546511 | 2-Chloro-4(1H)-pyrimidinone | 2-Chloropyrimidin-4-ol | AC-25590 | 4(3H)-Pyrimidinone,2-chloro- | 94XAS724K9 | SY019878 | SB57680 | 2-CHLORO-4-HYDROXYPYRIMIDINE | Chlor- 6-Oxypyrimi

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504767471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767471
• Sorrisi canonici: C1=CN=C(NC1=O)Cl
• IUPAC Name: 2-chloro-1H-pyrimidin-6-one
• InChIKey: FETSYNXZMUAONO-UHFFFAOYSA-N
• INCHI: 1S/C4H3ClN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
• Isomeri SMILES: C1=CN=C(NC1=O)Cl
• Peso molecolare: 130.53
• Reaxy-Rn: 6188818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6188818&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: 2-halopyrimidines Hydropyrimidines Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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

Proprietà chimiche e fisiche

• Peso molecolare: 130.530 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.993 Da
• Monoisotopic Mass: 129.993 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 173.000
• 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