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Elementi costitutivi organici
4-[(4-Bromophenyl)methoxy]phenol - ≥95% , CAS No.54589-52-5

4-[(4-Bromophenyl)methoxy]phenol - ≥95% , CAS No.54589-52-5

Name: 4-[(4-Bromophenyl)methoxy]phenol - ≥95% , CAS No.54589-52-5
SKU: B931227
Availability: InStock

CAS: 54589-52-5 Cat. No.: B931227 Formula: C₁₃H₁₁BrO₂ Peso molecolare: 279.13 PubChem CID: 43143340

COA

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Disponibile su ordine

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici	C1=CC(=CC=C1COC2=CC=C(C=C2)O)Br
IUPAC Name	4-[(4-bromophenyl)methoxy]phenol
InChIKey	WNKLXCIAQUVCHA-UHFFFAOYSA-N
INCHI	1S/C13H11BrO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,15H,9H2
Isomeri SMILES	C1=CC(=CC=C1COC2=CC=C(C=C2)O)Br
PubChem CID	43143340
Peso molecolare	279.13

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Phenols
    - Subclass 4-alkoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Phenols
Subclass	4-alkoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	4-alkoxyphenols
Alternative Parents	Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
External Descriptors	Not available
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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	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 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	194.000
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

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