2-Chloro-4-nitrobenzoyl Chloride - ≥98%(GC) , CAS No.7073-36-1

CAS: 7073-36-1 Cat. No.: C153883 Peso molecular: 220.01 Número EC: 230-367-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-Chloro-4-nitrobenzoyl chloride | 2-chloro-4-nitro-benzoyl chloride | EN300-1459121 | DTXSID4064559 | Benzoyl chloride,2-chloro-4-nitro- | Benzoyl chloride, 2-chloro-4-nitro- | EINECS 230-367-4 | 2-Chloro-4-nitrobenzoyl chloride, AldrichCPR | 2-chloro-4-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Chloro-4-nitrobenzoyl chloride | 2-chloro-4-nitro-benzoyl chloride | EN300-1459121 | DTXSID4064559 | Benzoyl chloride, 2-chloro-4-nitro- | Benzoyl chloride, 2-chloro-4-nitro- | EINECS 230-367-4 | 2-Chloro-4-nitrobenzoyl chloride, AldrichCPR | 2-chloro-4-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl
• IUPAC Name: 2-chloro-4-nitrobenzoyl chloride
• InChIKey: KTHNITVDTYAHFF-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl
• Peso molecular: 220.01
• Reaxy-Rn: 519794
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=519794&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 2-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: 2-halobenzoic acids and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acyl chloride - Organic 1,3-dipolar compound - Acyl halide - Organic oxoazanium - Organooxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-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

• Solubilidad: Soluble in Toluene
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.595
• Punto de ebullición (°C): 165°/20mm
• Punto de fusión (°C): 26 °C
• Peso molecular: 220.010 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.949 Da
• Monoisotopic Mass: 218.949 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 228.000
• 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