1-(clorometil)-4-etoxibenzeno - ≥95% , CAS No.6653-80-1

CAS: 6653-80-1 Cat. No.: C194480 Fórmula: C₉H₁₁ClO Peso molecular: 170.64 Número CE: 809-765-2

GRADE & PURITY ≥95%

Synonyms

1-(Chloromethyl)-4-Ethoxybenzene|6653-80-1|4-ETHOXYBENZYL CHLORIDE|Benzene, 1-(chloromethyl)-4-ethoxy-|p-chloromethylphenetole|SCHEMBL1390870|DTXSID70366387|DCLMJYZEOSDVCL-UHFFFAOYSA-N|MFCD00123292|AKOS002433903|AS-37718|FT-0651344|Z56347299

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(Chloromethyl)-4-Ethoxybenzene | 6653-80-1 | 4-ETHOXYBENZYL CHLORIDE | Benzene, 1-(chloromethyl)-4-ethoxy- | p-chloromethylphenetole | SCHEMBL1390870 | DTXSID70366387 | DCLMJYZEOSDVCL-UHFFFAOYSA-N | MFCD00123292 | AKOS002433903 | AS-37718 | FT-0651344 | Z56347299

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504760690
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760690
• Sorrisos canónicos: CCOC1=CC=C(C=C1)CCl
• IUPAC Name: 1-(chloromethyl)-4-ethoxybenzene
• InChIKey: DCLMJYZEOSDVCL-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
• SMILES isoméricas: CCOC1=CC=C(C=C1)CCl
• Peso molecular: 170.64
• Reaxy-Rn: 742589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzyl chloride - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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

Propriedades químicas e físicas

• Peso molecular: 170.630 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.05 Da
• Monoisotopic Mass: 170.05 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.700
• 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