Benzyl chloromethyl ether - ≥60% , CAS No.3587-60-8

CAS: 3587-60-8 Cat. No.: B107578 Peso molecular: 156.61 Beilstein Registry Number: 1364034 Número EC: 628-927-1

GRADE & PURITY ≥60%

Synonyms

Benzyl chloromethyl ether, technical, ~60% (NMR) | Atlasol KAD | choromethylbenzyl ether | chloromethyl benzyl ether | chloromethylbenzylether | AKOS006221189 | F8881-5092 | 4-27-00-01069 (Beilstein Handbook Reference) | DTXSID2052736 | benzyl chlormethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzyl chloromethyl ether, technical, ~60% (NMR) | Atlasol KAD | choromethylbenzyl ether | chloromethyl benzyl ether | chloromethylbenzylether | AKOS006221189 | F8881-5092 | 4-27-00-01069 (Beilstein Handbook Reference) | DTXSID2052736 | benzyl chlormethyl

Especificaciones y pureza

≥60%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥60%

Nombres e identificadores

• Pubchem Sid: 504757147
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757147
• Sonrisas canónicas: C1=CC=C(C=C1)COCCl
• IUPAC Name: chloromethoxymethylbenzene
• InChIKey: LADPCMZCENPFGV-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• Isómeros SMILES: C1=CC=C(C=C1)COCCl
• WGK Alemania: 3
• Número ONU: 2810
• Peso molecular: 156.61
• Beilstein: 1364034
• Reaxy-Rn: 1364034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364034&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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 water [2.7 g/L (25 C)]
• Sensibilidad: Heat & Moisture Sensitive
• Índice de refracción: 1.5192
• Punto de inflamación (°F): 91 °C
• Punto de inflamación (°C): 91°C
• Punto de ebullición (°C): 103°C
• Peso molecular: 156.610 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.034 Da
• Monoisotopic Mass: 156.034 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 79.300
• 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