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4-(2,4-Dichlorophenyl)-2-fluorophenol - ≥97% , CAS No.1261891-04-6

4-(2,4-Dichlorophenyl)-2-fluorophenol - ≥97% , CAS No.1261891-04-6

Name: 4-(2,4-Dichlorophenyl)-2-fluorophenol - ≥97% , CAS No.1261891-04-6
SKU: D1253545
Availability: InStock

CAS: 1261891-04-6 Cat. No.: D1253545 Fórmula: C₁₂H₇Cl₂FO Peso molecular: 257.09 PubChem CID: 53219616

COA

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Disponible para pedir

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

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Literature proof

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

Specifications

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=C1C2=C(C=C(C=C2)Cl)Cl)F)O
IUPAC Name	4-(2,4-dichlorophenyl)-2-fluorophenol
InChIKey	PBUGWWVOYDZJLV-UHFFFAOYSA-N
INCHI	1S/C12H7Cl2FO/c13-8-2-3-9(10(14)6-8)7-1-4-12(16)11(15)5-7/h1-6,16H
Isómeros SMILES	C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)F)O
PubChem CID	53219616
Peso molecular	257.09

Documentation

📋 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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Chlorinated biphenyls
        Level6 Polychlorinated biphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Chlorinated biphenyls
Direct Parent	Polychlorinated biphenyls
Alternative Parents	O-fluorophenols Dichlorobenzenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Polychlorinated biphenyl - 1,3-dichlorobenzene - 2-halophenol - 2-fluorophenol - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Aryl chloride - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	257.079 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	255.986 Da
Monoisotopic Mass	255.986 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	239.000
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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