2,4-Dichlorobenzoyl chloride - ≥98% , CAS No.89-75-8

CAS: 89-75-8 Cat. No.: D100633 Formule: C₇H₃Cl₃O Poids moléculaire: 209.46 Beilstein Registry Number: 608324 Numéro CE: 201-936-4

GRADE & PURITY ≥98%

Synonyms

EC 201-936-4 | BP-21168 | EINECS 201-936-4 | Tox21_303889 | Benzoyl chloride, 2,4-dichloro- | DTXSID2052603 | 2,4-dichloro-1-benzenecarbonyl chloride | 2,4-Dichlorobenzoyl chloride | 2,4-dichloro-benzoyl chloride | F2190-0070 | CEOCVKWBUWKBKA-UHFFFAOYSA-

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Vue d’ensemble

2,4-Dichlorobenzoyl chloride was used in the synthesis of biaryls by following the Suzuki coupling. It was used for acylation in the synthesis of potent non-sarcosine-derived Gly T1 inhibitors.

2,4-Dichlorobenzoyl chloride was used in the synthesis of thioesters of 4-chlorobenzoate and 2,4-dichlorobenzoate.

Specifications

Synonymes

EC 201-936-4 | BP-21168 | EINECS 201-936-4 | Tox21_303889 | Benzoyl chloride, 2,4-dichloro- | DTXSID2052603 | 2,4-dichloro-1-benzenecarbonyl chloride | 2,4-Dichlorobenzoyl chloride | 2,4-dichloro-benzoyl chloride | F2190-0070 | CEOCVKWBUWKBKA-UHFFFAOYSA-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC(=C(C=C1Cl)Cl)C(=O)Cl
• IUPAC Name: 2,4-dichlorobenzoyl chloride
• InChIKey: CEOCVKWBUWKBKA-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H
• Isomères SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)Cl
• WGK Allemagne: 1
• RTECS: DM6636733
• Numéro ONU: 3265
• Groupe d'emballage: III
• Poids moléculaire: 209.46
• Beilstein: 608324
• Reaxy-Rn: 608324
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe 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
• Classe: 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: 2-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Acyl halide - Acyl chloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - 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

Propriétés chimiques et physiques

• Solubilité: Reacts with water. Soluble in toluene.
• Sensibilité: Moisture sensitive
• Point de congélation (°C): 20 °C
• Indice de réfraction: 1.5915-1.5937
• Point d'éclair (°F): 278.6 °F
• Point d'éclair (°C): 137 °C
• Point d'ébullition (°C): 150°C
• Point de fusion (°C): 21°C
• Poids moléculaire: 209.500 g/mol
• XLogP3: 3.800
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 89-75-8, the molecular formula is C7H3Cl3O, and the molecular weight is 209.46 g/mol. InChIKey CEOCVKWBUWKBKA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.