Benzyl 2-bromoethyl ether - ≥97% , CAS No.1462-37-9

CAS: 1462-37-9 Cat. No.: B107737 Peso molecular: 215.09 Número EC: 629-202-2

GRADE & PURITY ≥97%

Synonyms

EN300-108377 | MFCD00045846 | 9-cyclopentylpurin-6-amine | SCHEMBL146520 | 2-Benzyloxy-1-bromoethane | BBL103184 | 2-bromoethoxymethylbenzene | 2-bromoethoxymethyl-benzene | Benzyl bromoethyl ether | SY021677 | 1-bromo-2-benzyloxyethane | bromoethoxymethy

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Benzyl 2-bromoethyl ether is a building block used to prepare a copper phthalocyanine discotic liquid crystal. It is an Alkylation reagent for synthesis of a macrocyclic antifungal antibiotic.
Used to prepare a copper phthalocyanine discotic liquid crystal

Specifications

Sinónimos

EN300-108377 | MFCD00045846 | 9-cyclopentylpurin-6-amine | SCHEMBL146520 | 2-Benzyloxy-1-bromoethane | BBL103184 | 2-bromoethoxymethylbenzene | 2-bromoethoxymethyl-benzene | Benzyl bromoethyl ether | SY021677 | 1-bromo-2-benzyloxyethane | bromoethoxymethy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184815
• Sonrisas canónicas: C1=CC=C(C=C1)COCCBr
• IUPAC Name: 2-bromoethoxymethylbenzene
• InChIKey: FWOHDAGPWDEWIB-UHFFFAOYSA-N
• INCHI: 1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
• Isómeros SMILES: C1=CC=C(C=C1)COCCBr
• WGK Alemania: 3
• Peso molecular: 215.09
• Reaxy-Rn: 2082542
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082542&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: Dialkyl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

• Solubilidad: Slightly soluble in water
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.541
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 254°C
• Peso molecular: 215.090 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 213.999 Da
• Monoisotopic Mass: 213.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 89.600
• 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