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

CAS: 63024-77-1 Cat. No.: C136682 Molecular Weight: 189.04 Beilstein Registry Number: 9(3)2328 EC Number: 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

Overview

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

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

Specifications & Purity

≥93%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 504760994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760994
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC(=C1)C(=O)Cl)CCl
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.5748
• Flash Point(°F): >110℃
• Flash Point(°C): >110℃
• Boil Point(°C): 149-150℃
• Melt Point(°C): 4°C(lit.)
• Molecular Weight: 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