6-chloropyrimidine-4-carboxylic acid - ≥97% , CAS No.37131-91-2

CAS: 37131-91-2 Cat. No.: C176296 Peso molecular: 158.54

GRADE & PURITY ≥97%

Synonyms

SY019018 | MFCD08692928 | 4-carboxy-6-chloropyrimidine | AB48398 | DS-11046 | J-518577 | AM20090597 | FT-0649641 | A874179 | ACETYL-DL-CARNITINEHYDROCHLORIDE | 6-CHLORO-4-PYRIMIDINECARBOXYLIC ACID | DTXSID20586250 | 4-Pyrimidinecarboxylic acid,6-chloro- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY019018 | MFCD08692928 | 4-carboxy-6-chloropyrimidine | AB48398 | DS-11046 | J-518577 | AM20090597 | FT-0649641 | A874179 | ACETYL-DL-CARNITINEHYDROCHLORIDE | 6-CHLORO-4-PYRIMIDINECARBOXYLIC ACID | DTXSID20586250 | 4-Pyrimidinecarboxylic acid, 6-chloro- |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=CN=C1Cl)C(=O)O
• IUPAC Name: 6-chloropyrimidine-4-carboxylic acid
• InChIKey: RWSPRTBXAXZIOS-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)
• Isómeros SMILES: C1=C(N=CN=C1Cl)C(=O)O
• Peso molecular: 158.54
• Reaxy-Rn: 509616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Halopyrimidines Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-6-carboxylic acid - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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: 158.540 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.988 Da
• Monoisotopic Mass: 157.988 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 142.000
• 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