Methyl 4-(chloromethyl)benzoate - ≥98%(GC) , CAS No.34040-64-7

CAS: 34040-64-7 Cat. No.: M135465 Peso molecular: 184.62 Beilstein Registry Number: 9(4)1743 Número EC: 251-806-6

GRADE & PURITY ≥98%(GC)

Synonyms

p-(Methoxycarbonyl)benzyl chloride | METHYL 4-(CHLOROMETHYL)BENZOATE | methyl 4-(chloromethyl)-benzoate | alpha-Chloro-p-toluic Acid Methyl Ester | AS-15670 | SCHEMBL200 | AC-13472 | AKOS000261555 | 4-Chloromethylbenzoic acid methyl ester | 4-chloromethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

p-(Methoxycarbonyl)benzyl chloride | METHYL 4-(CHLOROMETHYL)BENZOATE | methyl 4-(chloromethyl)-benzoate | alpha-Chloro-p-toluic Acid Methyl Ester | AS-15670 | SCHEMBL200 | AC-13472 | AKOS000261555 | 4-Chloromethylbenzoic acid methyl ester | 4-chloromethyl

Especificaciones y pureza

≥98%(GC)

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%(GC)

Nombres e identificadores

• Pubchem Sid: 504753553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753553
• Sonrisas canónicas: COC(=O)C1=CC=C(C=C1)CCl
• IUPAC Name: methyl 4-(chloromethyl)benzoate
• InChIKey: SATDLKYRVXFXRE-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
• Isómeros SMILES: COC(=O)C1=CC=C(C=C1)CCl
• Peso molecular: 184.62
• Beilstein: 9(4)1743
• Reaxy-Rn: 1944356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944356&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzyl chlorides Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Benzyl chloride - Benzyl halide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• Solubilidad: Soluble in Methanol
• Índice de refracción: 1.52
• Punto de ebullición (°C): 165 °C/30 mmHg
• Punto de fusión (°C): 39 °C
• Peso molecular: 184.620 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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