2-(4-Bromophenoxy)tetrahydropyran - ≥97% , CAS No.36603-49-3

CAS: 36603-49-3 Cat. No.: B184051 Molecular Weight: 257.12

GRADE & PURITY ≥97%

Synonyms

2-(4-bromophenoxy)oxane | 2-(4-Bromophenoxy)tetrahydropyran | 2-(4-Bromo-phenoxy)-tetrahydropyran | 2-(4-bromophenoxy)-tetrahydropyran | 2H-Pyran, 2-(4-bromophenoxy)tetrahydro- | SY066306 | DTXSID40405217 | 4-Bromo-1-(2-tetrahydropyranoxy)benzene | 2-(4-B

Storage

Room temperature

Shipped In

Normal

Overview

Product Description

2-(4-Bromophenoxy)tetrahydro-2H-pyran is a halogenated heterocycle that is used as a building block in organic synthesis.
Product Application

2-(4-Bromophenoxy)tetrahydro-2H-pyran may be used as a starting material in the synthesis of 2-(4-lithiophenoxy)- tetrahydro-2H-pyran and 4-(tetrahydropyranyloxymethyl)phenyl magnesium bromide.

Specifications

Synonyms

2-(4-bromophenoxy)oxane | 2-(4-Bromophenoxy)tetrahydropyran | 2-(4-Bromo-phenoxy)-tetrahydropyran | 2-(4-bromophenoxy)-tetrahydropyran | 2H-Pyran, 2-(4-bromophenoxy)tetrahydro- | SY066306 | DTXSID40405217 | 4-Bromo-1-(2-tetrahydropyranoxy)benzene | 2-(4-B

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763091
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763091
• Canonical Smiles: C1CCOC(C1)OC2=CC=C(C=C2)Br
• IUPAC Name: 2-(4-bromophenoxy)oxane
• InChIKey: MXDQGXMBJCGRCB-UHFFFAOYSA-N
• INCHI: 1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
• Isomeric SMILES: C1CCOC(C1)OC2=CC=C(C=C2)Br
• WGK Germany: 3
• Molecular Weight: 257.12
• Reaxy-Rn: 155773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Oxanes Aryl bromides Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxane - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: Moisture sensitive
• Melt Point(°C): 56-58 °C
• Molecular Weight: 257.120 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.01 Da
• Monoisotopic Mass: 256.01 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 167.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1