2-(benzyloxy)-4-bromophenol - ≥97% , CAS No.153240-85-8

CAS: 153240-85-8 Cat. No.: B174506 Fórmula: C₁₃H₁₁BrO₂ Peso molecular: 279.133

GRADE & PURITY ≥97%

Synonyms

P15320 | AS-52545 | DTXSID60619273 | SCHEMBL3418336 | 2-(benzyloxy)-4-bromophenol | 4-Bromo-2-(phenylmethoxy)phenol | A846302 | PB47690 | FT-0662915 | AKOS025294584 | 4-bromo-2-phenylmethoxyphenol | FCRCHBBRZJZSHO-UHFFFAOYSA-N | MFCD18433365 | SY099135 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

P15320 | AS-52545 | DTXSID60619273 | SCHEMBL3418336 | 2-(benzyloxy)-4-bromophenol | 4-Bromo-2-(phenylmethoxy)phenol | A846302 | PB47690 | FT-0662915 | AKOS025294584 | 4-bromo-2-phenylmethoxyphenol | FCRCHBBRZJZSHO-UHFFFAOYSA-N | MFCD18433365 | SY099135 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)O

IUPAC Name

4-bromo-2-phenylmethoxyphenol

InChIKey

FCRCHBBRZJZSHO-UHFFFAOYSA-N

INCHI

1S/C13H11BrO2/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2

Isómeros SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)O

Peso molecular

279.133

Reaxy-Rn

9555677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9555677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds P-bromophenols Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 279.130 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.994 Da
• Monoisotopic Mass: 277.994 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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