3-(Chloromethyl)-benzoyl chloride - ≥93%(GC) , CAS No.63024-77-1

CAS: 63024-77-1 Cat. No.: C136682 Peso molecular: 189.04 Beilstein Registry Number: 9(3)2328 Número EC: 263-799-7

GRADE & PURITY ≥93%(GC)

Synonyms

FT-0613738 | 3-chlormethylbenzoylchloride | 3-(Chloromethyl)benzoyl chloride, 98% | m-(chloromethyl)benzoyl chloride | EN300-39452 | 3-chloromethylbenzoylchloride | 3-Chloromethylbenzoyl chloride | 3-Chloromethyl-benzoyl chloride | SCHEMBL39676 | W-104939

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3-(Chloromethyl)benzoyl chloride has been used in the preparation of: new amphiphilic star polymers possessing a hyperbranched core and hydrophilic graft arms water-soluble, solution-stable, bioactive prodrugs

Specifications

Sinónimos

FT-0613738 | 3-chlormethylbenzoylchloride | 3-(Chloromethyl)benzoyl chloride, 98% | m-(chloromethyl)benzoyl chloride | EN300-39452 | 3-chloromethylbenzoylchloride | 3-Chloromethylbenzoyl chloride | 3-Chloromethyl-benzoyl chloride | SCHEMBL39676 | W-104939

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥93%(GC)

Nombres e identificadores

• Pubchem Sid: 504760994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760994
• Sonrisas canónicas: C1=CC(=CC(=C1)C(=O)Cl)CCl
• IUPAC Name: 3-(chloromethyl)benzoyl chloride
• InChIKey: YCAIYRWHKSJKEB-UHFFFAOYSA-N
• INCHI: 1S/C8H6Cl2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2
• Isómeros SMILES: C1=CC(=CC(=C1)C(=O)Cl)CCl
• Peso molecular: 189.04
• Beilstein: 9(3)2328
• Reaxy-Rn: 2436228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436228&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: Benzyl chlorides Benzoyl derivatives Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzyl halide - Benzyl chloride - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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: 1.5748
• Punto de inflamación (°F): >110℃
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 149-150℃
• Punto de fusión (°C): 4°C(lit.)
• Peso molecular: 189.040 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.98 Da
• Monoisotopic Mass: 187.98 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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