2-(4-Bromophenoxy)ethanol - ≥98%(GC) , CAS No.34743-88-9

CAS: 34743-88-9 Cat. No.: B140261 Summenformel: C₈H₉BrO₂ Molekulargewicht: 217.06 Beilstein Registry Number: 6(4)1048 EG-Nummer: 252-181-2

GRADE & PURITY ≥98%(GC)

Synonyms

2-(4-bromophenoxyl)ethanol | Ethanol, 2-(p-bromophenoxy)- | 1-bromo-4-(2-hydroxyethoxy)benzene | A822380 | NSC190715 | NSC-190715 | DAlc2-H_000046 | 2-(4-bromophenoxy)ethan-1-ol | DTXSID80188299 | 2-(4-bromophenoxy)-1-ethanol | am-101 | J-019740 | 4,7-dic

Storage

Room temperature

Shipped In

Normal

Übersicht

2-(4-Bromophenoxy)ethanol was used in the synthesis of lithium 2-(4-lithiophenoxy)ethoxide.

Specifications

Synonyme

2-(4-bromophenoxyl)ethanol | Ethanol, 2-(p-bromophenoxy)- | 1-bromo-4-(2-hydroxyethoxy)benzene | A822380 | NSC190715 | NSC-190715 | DAlc2-H_000046 | 2-(4-bromophenoxy)ethan-1-ol | DTXSID80188299 | 2-(4-bromophenoxy)-1-ethanol | am-101 | J-019740 | 4,7-dic

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488187166

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187166

Kanonisches Lächeln

C1=CC(=CC=C1OCCO)Br

IUPAC Name

2-(4-bromophenoxy)ethanol

InChIKey

QYIOGYCRGNHDNK-UHFFFAOYSA-N

INCHI

1S/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2

Isomere SMILES

C1=CC(=CC=C1OCCO)Br

WGK Deutschland

3

Molekulargewicht

217.06

Beilstein

6(4)1048

Reaxy-Rn

2208122

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208122&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 235.4°F
• Flammpunkt (°C): 113℃
• Siedepunkt (°C): 184℃/20mmHg
• Schmelzpunkt (°C): 54.0-57.0℃
• Molekulargewicht: 217.060 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.979 Da
• Monoisotopic Mass: 215.979 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 100.000
• 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