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

CAS: 1462-37-9 Cat. No.: B107737 Molecular Weight: 215.09 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184815
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)COCCBr
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Sensitivity: Light sensitive.
• Refractive Index: 1.541
• Flash Point(°F): >235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 254°C
• Molecular Weight: 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