(4-Methoxybenzyl) Methyl Ether - ≥98%(GC) , CAS No.1515-81-7

CAS: 1515-81-7 Cat. No.: M158116 Peso molecular: 152.19 Número EC: 216-161-7

GRADE & PURITY ≥98%(GC)

Synonyms

p-Bis(chloromethyl)benzene | 4-(Methoxymethyl)anisole | 4-(methoxymethyl)-anisole | Benzene, 1-methoxy-4-(methoxymethyl)- | 4-METHOXYMETHYLANISOLE | SCHEMBL10205414 | SCHEMBL31270 | Anisyl chloride | SCHEMBL5321146 | DTXSID0061743 | S10552 | EINECS 216-16

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

p-Bis(chloromethyl)benzene | 4-(Methoxymethyl)anisole | 4-(methoxymethyl)-anisole | Benzene, 1-methoxy-4-(methoxymethyl)- | 4-METHOXYMETHYLANISOLE | SCHEMBL10205414 | SCHEMBL31270 | Anisyl chloride | SCHEMBL5321146 | DTXSID0061743 | S10552 | EINECS 216-16

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184787
• Sonrisas canónicas: COCC1=CC=C(C=C1)OC
• IUPAC Name: 1-methoxy-4-(methoxymethyl)benzene
• InChIKey: RSOYRXBYZFBWFS-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6H,7H2,1-2H3
• Isómeros SMILES: COCC1=CC=C(C=C1)OC
• Peso molecular: 152.19
• Reaxy-Rn: 1862582
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862582&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=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

• Índice de refracción: 1.51
• Punto de inflamación (°C): 69 °C
• Punto de ebullición (°C): 226 °C
• Peso molecular: 152.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.700
• 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