cloruro de 2,4-dimetoxibenzoilo - ≥96% , CAS No.39828-35-8

CAS: 39828-35-8 Cat. No.: D122560 Peso molecular: 200.62 Número EC: 628-203-5

GRADE & PURITY ≥96%

Synonyms

SCHEMBL220681 | 9N-827 | KVIUXRJCBBXEGJ-UHFFFAOYSA-N | 2,4-dimethoxy-1-benzenecarbonyl chloride | 2,4-Dimethoxybenzoyl chloride, technical grade | MFCD00017527 | 2,4-dimethoxy benzoyl chloride | SY358279 | AKOS009159129 | E85442 | FT-0639581 | DTXSID50370

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el cloruro de 2,4-dimetoxibenzoilo es un derivado del cloruro de benzoilo
el cloruro de 2,4-dimetoxibenzoilo puede utilizarse como reactivo de partida en la síntesis de cumestrol. Puede utilizarse en la síntesis de cromenoflavona, cicloartocarpesina trimetil éter.

Specifications

Sinónimos

SCHEMBL220681 | 9N-827 | KVIUXRJCBBXEGJ-UHFFFAOYSA-N | 2, 4-dimethoxy-1-benzenecarbonyl chloride | 2, 4-Dimethoxybenzoyl chloride, technical grade | MFCD00017527 | 2, 4-dimethoxy benzoyl chloride | SY358279 | AKOS009159129 | E85442 | FT-0639581 | DTXSID50370

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)C(=O)Cl)OC
• IUPAC Name: 2,4-dimethoxybenzoyl chloride
• InChIKey: KVIUXRJCBBXEGJ-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO3/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
• Isómeros SMILES: COC1=CC(=C(C=C1)C(=O)Cl)OC
• WGK Alemania: 3
• Número ONU: 3261
• Peso molecular: 200.62
• Reaxy-Rn: 2415461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2415461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzoic acids and derivatives Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Benzoyl - Alkyl aryl ether - Acyl chloride - Acyl halide - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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
• Punto de fusión (°C): 58-60°C
• Peso molecular: 200.620 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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