4-Hexylbenzoyl chloride - ≥98% , CAS No.50606-95-6

CAS: 50606-95-6 Cat. No.: H170646 Peso molecular: 224.73 Número EC: 256-647-6

GRADE & PURITY ≥98%

Synonyms

AKOS002685611 | FT-0618590 | EINECS 256-647-6 | AS-77206 | 4-hexylbenzoylchloride | DTXSID7068558 | 4-n-Hexylbenzoylchloride | 4-Hexylbenzoyl chloride | SCHEMBL1020543 | para-n-hexyl benzoic acid chloride | MFCD00000701 | 4-Hexylbenzoyl chloride, 98% | 4-

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Product Application:

4-Hexylbenzoyl chloride was used in the synthesis of 6,6′-bis(hexylbenzoylamino)-2,2′-bipyridine (LH2) 

Specifications

Sinónimos

AKOS002685611 | FT-0618590 | EINECS 256-647-6 | AS-77206 | 4-hexylbenzoylchloride | DTXSID7068558 | 4-n-Hexylbenzoylchloride | 4-Hexylbenzoyl chloride | SCHEMBL1020543 | para-n-hexyl benzoic acid chloride | MFCD00000701 | 4-Hexylbenzoyl chloride, 98% | 4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757658
• Sonrisas canónicas: CCCCCCC1=CC=C(C=C1)C(=O)Cl
• IUPAC Name: 4-hexylbenzoyl chloride
• InChIKey: XRAHLPNMIIAEPP-UHFFFAOYSA-N
• INCHI: 1S/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3
• Isómeros SMILES: CCCCCCC1=CC=C(C=C1)C(=O)Cl
• WGK Alemania: 3
• Peso molecular: 224.73
• Reaxy-Rn: 2208938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a 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: moisture sensitive
• Índice de refracción: n20/D 1.5256 (lit.)
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 224.720 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 224.097 Da
• Monoisotopic Mass: 224.097 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 183.000
• 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