Phenyl Isonicotinate - ≥95% , CAS No.94-00-8

CAS: 94-00-8 Cat. No.: P305008 Fórmula: C12H9NO2 Peso molecular: 199.21 Número EC: 679-756-4 PubChem CID: 571548
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
I0142 | Phenyl isonicotinate # | Isonicotinic acid phenyl ester | RGQQGHGIUCRECH-UHFFFAOYSA-N | MFCD00059787 | Phenyl 4-Pyridinecarboxylate | RGQQGHGIUCRECH-UHFFFAOYSA- | D91086 | phenylisonicotinate | phenyl pyridine-4-carboxylate | SB53817 | FT-0693837
Storage
Room temperature,Desiccated
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
1g
P305008-1g
—
9 Disponible

21,61€

32,89€
Guardar 11,28 € (34.30%)
5g
P305008-5g
—
9 Disponible

54,58€

82,35€
Guardar 27,77 € (33.72%)
25g
P305008-25g
—
4 Disponible

196,02€

294,08€
Guardar 98,05 € (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Room temperature,Desiccated 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.

📚

Literature proof

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

Specifications

Sinónimos
I0142 | Phenyl isonicotinate # | Isonicotinic acid phenyl ester | RGQQGHGIUCRECH-UHFFFAOYSA-N | MFCD00059787 | Phenyl 4-Pyridinecarboxylate | RGQQGHGIUCRECH-UHFFFAOYSA- | D91086 | phenylisonicotinate | phenyl pyridine-4-carboxylate | SB53817 | FT-0693837
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature,Desiccated
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190362
Sonrisas canónicas
C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2
IUPAC Name
phenyl pyridine-4-carboxylate
InChIKey
RGQQGHGIUCRECH-UHFFFAOYSA-N
INCHI
1S/C12H9NO2/c14-12(10-6-8-13-9-7-10)15-11-4-2-1-3-5-11/h1-9H
Isómeros SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2
PubChem CID
571548
Peso molecular
199.21

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
ClasePhenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Pyridinecarboxylic acids  Phenoxy compounds  Heteroaromatic compounds  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenol ester - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
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:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeFechaArticulo
D23261234Certificate of AnalysisFeb 04, 2026 P305008
D23261238Certificate of AnalysisFeb 04, 2026 P305008
K2204579Certificate of AnalysisAug 18, 2025 P305008
K2204580Certificate of AnalysisAug 12, 2025 P305008
K2204861Certificate of AnalysisAug 12, 2025 P305008
E2411412Certificate of AnalysisMar 21, 2024 P305008
E2411413Certificate of AnalysisMar 21, 2024 P305008
Propiedades químicas y físicas
Punto de fusión (°C)72°C
Peso molecular199.200 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.063 Da
Monoisotopic Mass199.063 Da
Topological Polar Surface Area39.200 Ų
Heavy Atom Count15
Formal Charge0
Complexity206.000
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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