3,4-Dichlorobenzoyl chloride - ≥97% , CAS No.3024-72-4

CAS: 3024-72-4 Cat. No.: D103220 Molecular Weight: 209.46 Beilstein Registry Number: 607485 EC Number: 221-177-2

GRADE & PURITY ≥97%

Synonyms

3,4-dichloro-1-benzenecarbonyl chloride | CAA90560 | Q-200338 | EN300-128237 | SY2S6RQL6Y | DTXSID2062793 | EINECS 221-177-2 | D0346 | FT-0614236 | MFCD00000672 | STK301818 | F0001-0930 | 2,3-dichlorobenzoyl | 3,4-Dichlorobenzoylchloride | 3,4-dichloroben

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

3, 4-dichloro-1-benzenecarbonyl chloride | CAA90560 | Q-200338 | EN300-128237 | SY2S6RQL6Y | DTXSID2062793 | EINECS 221-177-2 | D0346 | FT-0614236 | MFCD00000672 | STK301818 | F0001-0930 | 2, 3-dichlorobenzoyl | 3, 4-Dichlorobenzoylchloride | 3, 4-dichloroben

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C(=O)Cl)Cl)Cl
• IUPAC Name: 3,4-dichlorobenzoyl chloride
• InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)Cl
• WGK Germany: 3
• UN Number: 3261
• Molecular Weight: 209.46
• Beilstein: 607485
• Reaxy-Rn: 607485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607485&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 4-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: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl chlorides Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Acyl halide - Acyl chloride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Freezing Point(°C): 30 °C
• Flash Point(°F): 287.6 °F
• Flash Point(°C): 142°(287°F)
• Boil Point(°C): 242°C
• Melt Point(°C): 30-33°C
• Molecular Weight: 209.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.925 Da
• Monoisotopic Mass: 207.925 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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