2-Chloro-4,5-difluoro-benzoyl chloride - ≥95% , CAS No.121872-95-5

CAS: 121872-95-5 Cat. No.: C345221 Peso molecular: 210.99 Número EC: 805-152-9

GRADE & PURITY ≥95%

Synonyms

2-chloro-4,5-difluorobenzoic acid chloride | EN300-1459124 | SCHEMBL3820327 | A804799 | AKOS015956926 | 2-chloro-4,5-difluorobenzoylchloride | 2-Chloro-4,5-difluorobenzoyl chloride | 2-chloro-4,5-difluoro-benzoyl Chloride | J-004689 | MFCD04972708 | WVGSP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-chloro-4, 5-difluorobenzoic acid chloride | EN300-1459124 | SCHEMBL3820327 | A804799 | AKOS015956926 | 2-chloro-4, 5-difluorobenzoylchloride | 2-Chloro-4, 5-difluorobenzoyl chloride | 2-chloro-4, 5-difluoro-benzoyl Chloride | J-004689 | MFCD04972708 | WVGSP

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CC(=C1F)F)Cl)C(=O)Cl
• IUPAC Name: 2-chloro-4,5-difluorobenzoyl chloride
• InChIKey: WVGSPMZLNNRZRH-UHFFFAOYSA-N
• INCHI: 1S/C7H2Cl2F2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
• Isómeros SMILES: C1=C(C(=CC(=C1F)F)Cl)C(=O)Cl
• Peso molecular: 210.99
• Reaxy-Rn: 4247589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4247589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Acyl halide - Acyl chloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene 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

• Sensibilidad: Air sensitive
• Índice de refracción: n20D1.52 (Predicted)
• Punto de ebullición (°C): ~217.8° C at 760 mmHg (Predicted)
• Peso molecular: 210.990 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.945 Da
• Monoisotopic Mass: 209.945 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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