o-Chlorobenzoylchloride - ≥96% , CAS No.609-65-4

CAS: 609-65-4 Cat. No.: C109066 Molecular Weight: 175.01 Beilstein Registry Number: 9336 EC Number: 210-194-0

GRADE & PURITY ≥96%

Synonyms

DTXSID9060572 | 2-chorobenzoyl chloride | EN300-19180 | NSC 93897 | NSC93897 | NSC-93897 | Benzoyl chloride, 2-chloro- | PS-10799 | 2-chlorobenzoic acid chloride | 2-Chlorobenzoyl chloride, purum, >=97.0% (HPLC) | FT-0611919 | o-chlorobenzoylchloride | F2

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

DTXSID9060572 | 2-chorobenzoyl chloride | EN300-19180 | NSC 93897 | NSC93897 | NSC-93897 | Benzoyl chloride, 2-chloro- | PS-10799 | 2-chlorobenzoic acid chloride | 2-Chlorobenzoyl chloride, purum, >=97.0% (HPLC) | FT-0611919 | o-chlorobenzoylchloride | F2

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 508816664
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)Cl)Cl
• IUPAC Name: 2-chlorobenzoyl chloride
• InChIKey: ONIKNECPXCLUHT-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)Cl)Cl
• WGK Germany: 1
• UN Number: 3265
• Molecular Weight: 175.01
• Beilstein: 9336
• Reaxy-Rn: 386435
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386435&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class 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
• Class: 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: Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Acyl chloride - Acyl halide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Aromatic homomonocyclic compound
• Description: 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: monochlorobenzenes - acyl chloride

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

• Solubility: Soluble in acetone, ether, and alcohol. Solubility in water it decomposes.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.5726
• Flash Point(°F): 255.2 °F
• Flash Point(°C): 124 °C
• Boil Point(°C): 238°C
• Melt Point(°C): -4°C
• Molecular Weight: 175.010 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.964 Da
• Monoisotopic Mass: 173.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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