2-(4-Chlorophenylthio)Nicotinic Acid - ≥98% , CAS No.955-54-4

CAS: 955-54-4 Cat. No.: N698832 Peso molecular: 265.72 Número EC: 677-444-2 PubChem CID: 725043
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
N698832-1g
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99,90US$
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Why this grade

≥98% 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.

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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

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)O
IUPAC Name2-(4-chlorophenyl)sulfanylpyridine-3-carboxylic acid
InChIKeyFPKVNUOJWZFDNZ-UHFFFAOYSA-N
INCHI1S/C12H8ClNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
Isómeros SMILES C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)O
PubChem CID 725043
Peso molecular 265.72

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
SuperclassOrganosulfur compounds
ClaseThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentDiarylthioethers
Alternative Parents Pyridinecarboxylic acids  Thiophenol ethers  Chlorobenzenes  Vinylogous thioesters  Aryl chlorides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Sulfenyl compounds  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  Organooxygen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diarylthioether - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Thiophenol ether - Chlorobenzene - Halobenzene - Vinylogous thioester - Benzenoid - Aryl halide - Pyridine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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Objetivos asociados (no humanos)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular265.720 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.996 Da
Monoisotopic Mass264.996 Da
Topological Polar Surface Area75.500 Ų
Heavy Atom Count17
Formal Charge0
Complexity269.000
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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