((2-(2-Bromoethoxy)ethoxy)methyl)benzene - ≥96% , CAS No.125562-32-5

CAS: 125562-32-5 Cat. No.: B586791 Summenformel: C₁₁H₁₅BrO₂ Molekulargewicht: 259.14

GRADE & PURITY ≥96%

Synonyms

DTXSID101276891 | ((2-(2-Bromoethoxy)ethoxy)methyl)benzene | 2-(2-bromoethoxy)ethoxymethylbenzene | AB85751 | SCHEMBL9516494 | [[2-(2-Bromoethoxy)ethoxy]methyl]benzene | 2-(2-benzyloxy)ethoxy-1-bromoethane | BS-30405 | E87329

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

DTXSID101276891 | ((2-(2-Bromoethoxy)ethoxy)methyl)benzene | 2-(2-bromoethoxy)ethoxymethylbenzene | AB85751 | SCHEMBL9516494 | [[2-(2-Bromoethoxy)ethoxy]methyl]benzene | 2-(2-benzyloxy)ethoxy-1-bromoethane | BS-30405 | E87329

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

508806369

Kanonisches Lächeln

C1=CC=C(C=C1)COCCOCCBr

IUPAC Name

2-(2-bromoethoxy)ethoxymethylbenzene

InChIKey

RDDYCZVOXLQKMX-UHFFFAOYSA-N

INCHI

1S/C11H15BrO2/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5H,6-10H2

Isomere SMILES

C1=CC=C(C=C1)COCCOCCBr

Molekulargewicht

259.14

Reaxy-Rn

13859975

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13859975&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 259.140 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 258.026 Da
• Monoisotopic Mass: 258.026 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 124.000
• 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