Methyl 2-(2-bromo-4-chlorophenyl)acetate - ≥98% , CAS No.115871-49-3

CAS: 115871-49-3 Cat. No.: M586453 Peso molecular: 263.51 Número EC: 601-391-6

GRADE & PURITY ≥98%

Synonyms

SY045730 | EN300-76386 | DTXSID80641031 | Methyl2-(2-Bromo-4-chlorophenyl)acetate | SCHEMBL23243620 | AMY39244 | Methyl (2-bromo-4-chlorophenyl)acetate | Benzeneacetic acid, 2-bromo-4-chloro-, methyl ester | AC7881 | Methyl 2-(2-bromo-4-chlorophenyl)aceta

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SY045730 | EN300-76386 | DTXSID80641031 | Methyl2-(2-Bromo-4-chlorophenyl)acetate | SCHEMBL23243620 | AMY39244 | Methyl (2-bromo-4-chlorophenyl)acetate | Benzeneacetic acid, 2-bromo-4-chloro-, methyl ester | AC7881 | Methyl 2-(2-bromo-4-chlorophenyl)aceta

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

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: COC(=O)CC1=C(C=C(C=C1)Cl)Br
• IUPAC Name: methyl 2-(2-bromo-4-chlorophenyl)acetate
• InChIKey: LRGRTSYKKXHITJ-UHFFFAOYSA-N
• INCHI: 1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
• Isómeros SMILES: COC(=O)CC1=C(C=C(C=C1)Cl)Br
• Peso molecular: 263.51
• Reaxy-Rn: 13501972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13501972&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Bromobenzenes Aryl chlorides Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Peso molecular: 263.510 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 261.94 Da
• Monoisotopic Mass: 261.94 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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