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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel 2-(Benzylthio)-3-nitropyridine - ≥98% , CAS No.69212-31-3
Synonyms
DTXSID50963838 | 2-(Benzylthio)-3-nitropyridine | Pyridine,3-nitro-2-[(phenylmethyl)thio]- | CRGAGHBQCBIQPJ-UHFFFAOYSA-N | AS-38164 | 2-(Benzylthio)-3-nitropyridine, 98% | CCG-244312 | FT-0689868 | MLS001181566 | 3-nitro-2-(phenylmethylthio)pyridine | 3-N
Storage
Desiccated,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Desiccated,Room temperature Ships Normal 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.
Übersicht Description
2-(Benzylthio)-3-nitropyridine is a pyridine derivative.
Specifications Synonyme
DTXSID50963838 | 2-(Benzylthio)-3-nitropyridine | Pyridine,3-nitro-2-[(phenylmethyl)thio]- | CRGAGHBQCBIQPJ-UHFFFAOYSA-N | AS-38164 | 2-(Benzylthio)-3-nitropyridine, 98% | CCG-244312 | FT-0689868 | MLS001181566 | 3-nitro-2-(phenylmethylthio)pyridine | 3-N
Spezifikationen & Reinheit
≥98%
Storage
Desiccated,Room temperature
Namen und Kennungen Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758957
Kanonisches Lächeln
C1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-]
IUPAC Name
2-benzylsulfanyl-3-nitropyridine
InChIKey
CRGAGHBQCBIQPJ-UHFFFAOYSA-N
INCHI
1S/C12H10N2O2S/c15-14(16)11-7-4-8-13-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2
Isomere SMILES
C1=CC=C(C=C1)CSC2=C(C=CC=N2)[N+](=O)[O-]
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1469425&ln=
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 Kingdom Organic compounds Superclass Organosulfur compounds Klasse Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Aryl thioethers Alternative Parents Nitroaromatic compounds Alkylarylthioethers Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound Beschreibung This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. External Descriptors Not available Data sources 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.
3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Schmelzpunkt (°C) 70-72 °C (lit.) Molekulargewicht 246.290 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 246.046 Da Monoisotopic Mass 246.046 Da Topological Polar Surface Area 84.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 251.000 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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