2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)benzenesulfonamide - ≥99% , CAS No.1809581-87-0

CAS: 1809581-87-0 Cat. No.: P1261995 Peso molecular: 497.46 PubChem CID: 102514675
Disponible para pedir
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
P1261995-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
415,90US$
10mg
P1261995-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
665,90US$
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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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
≥99%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F)O
IUPAC Name2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)benzenesulfonamide
InChIKeyZXJHEANDHXHGMV-UHFFFAOYSA-N
INCHI1S/C22H12F5NO3S2/c23-16-17(24)19(26)22(20(27)18(16)25)33(30,31)28-14-10-15(32-11-6-2-1-3-7-11)21(29)13-9-5-4-8-12(13)14/h1-10,28-29H
Isómeros SMILES C1=CC=C(C=C1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F)O
PubChem CID 102514675
Peso molecular 497.46

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.

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

KingdomOrganic compounds
SuperclassBenzenoids
ClaseNaphthalenes
SubclassNaphthols and derivatives
Intermediate Tree Nodes Not available
Direct ParentNaphthols and derivatives
Alternative Parents Diarylthioethers  Sulfanilides  Benzenesulfonamides  Benzenesulfonyl compounds  Thiophenol ethers  Fluorobenzenes  Organosulfonamides  Aryl fluorides  Aminosulfonyl compounds  Sulfenyl compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Diarylthioether - 1-naphthol - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Aryl thioether - Thiophenol ether - Halobenzene - Fluorobenzene - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular497.500 g/mol
XLogP35.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass497.018 Da
Monoisotopic Mass497.018 Da
Topological Polar Surface Area100.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity750.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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