6-Chloroacetyl-1,4-benzodioxane - ≥98% , CAS No.93439-37-3

CAS: 93439-37-3 Cat. No.: C344098 Peso molecular: 212.62 Número EC: 625-427-5

GRADE & PURITY ≥98%

Synonyms

FS-4133 | 6-Chloroacetyl-1,4-benzodioxane | 6-Chloroacetyl-1,4-benzodioxane, 97% | 2-Chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one | 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone | 2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)ethano

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FS-4133 | 6-Chloroacetyl-1, 4-benzodioxane | 6-Chloroacetyl-1, 4-benzodioxane, 97% | 2-Chloro-1-(2, 3-dihydrobenzo[b][1, 4]dioxin-6-yl)ethan-1-one | 2-chloro-1-(2, 3-dihydro-1, 4-benzodioxin-6-yl)ethanone | 2-chloro-1-(2, 3-dihydrobenzo[b][1, 4]dioxin-7-yl)ethano

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C(O1)C=CC(=C2)C(=O)CCl
• IUPAC Name: 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
• InChIKey: ILEYSCVQRULQKW-UHFFFAOYSA-N
• INCHI: 1S/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2
• Isómeros SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCl
• Peso molecular: 212.62
• Reaxy-Rn: 9049559
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9049559&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Aryl alkyl ketones Alkyl aryl ethers Para dioxins Benzenoids Alpha-chloroketones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Para-dioxin - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Ketone - Ether - Oxacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alkyl halide - Organooxygen compound - Alkyl chloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Propiedades químicas y físicas

• Punto de fusión (°C): 137-140° C (lit.)
• Peso molecular: 212.630 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.024 Da
• Monoisotopic Mass: 212.024 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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