cloruro de 2,4-dicloropirimidina-5-carbonilo - ≥97% , CAS No.2972-52-3

CAS: 2972-52-3 Cat. No.: D133781 Peso molecular: 211.433 Número EC: 638-925-2

GRADE & PURITY ≥97%

Synonyms

BCP21034 | SCHEMBL429969 | MFCD09742432 | 2,4-Dichloro-pyrimidine-5-carbonyl Chloride | 2,4-dichloropyrimidine-5-carbonyl chloride | 2,4-Dichloropyrimidine-5-carbonyl chloride, 97% | A5516 | J-507189 | DTXSID10549399 | 1,2-NAPHTHOQUINONE-4-SULFONICACIDSOD

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP21034 | SCHEMBL429969 | MFCD09742432 | 2, 4-Dichloro-pyrimidine-5-carbonyl Chloride | 2, 4-dichloropyrimidine-5-carbonyl chloride | 2, 4-Dichloropyrimidine-5-carbonyl chloride, 97% | A5516 | J-507189 | DTXSID10549399 | 1, 2-NAPHTHOQUINONE-4-SULFONICACIDSOD

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504767502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767502
• Sonrisas canónicas: C1=C(C(=NC(=N1)Cl)Cl)C(=O)Cl
• IUPAC Name: 2,4-dichloropyrimidine-5-carbonyl chloride
• InChIKey: DZTIFMWYYHCREC-UHFFFAOYSA-N
• INCHI: 1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
• Isómeros SMILES: C1=C(C(=NC(=N1)Cl)Cl)C(=O)Cl
• WGK Alemania: 3
• Peso molecular: 211.433
• Reaxy-Rn: 880650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880650&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: Pyrimidinecarboxylic acids and derivatives
• Alternative Parents: 2-halopyrimidines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine-5-carboxylic acid or derivatives - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Acyl chloride - Azacycle - Acyl halide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
• 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

• Sensibilidad: Moisture sensitive; Hygroscopic
• Índice de refracción: 1.586
• Punto de inflamación (°F): 199.4 °F
• Punto de inflamación (°C): 93 °C
• Peso molecular: 211.430 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.915 Da
• Monoisotopic Mass: 209.915 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 166.000
• 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