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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items p-Tolunitrile - ≥98%(GC) , CAS No.104-85-8
Synonyms
4-Toluenkarbonitril | AI3-14826 | p-Tolunitrile, purum, >=98.0% (GC) | NSC 70985 | p-Tolunitrile, 98% | T0307 | EN300-17589 | Nitril kyseliny p-toluylove [Czech] | BDBM50037786 | CCRIS 4737 | H20555V8NO | SCHEMBL10729751 | p-Toluenenitrile | p-Toluonitril
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice,FedEx DG Service
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice,FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
4-Toluenkarbonitril | AI3-14826 | p-Tolunitrile, purum, >=98.0% (GC) | NSC 70985 | p-Tolunitrile, 98% | T0307 | EN300-17589 | Nitril kyseliny p-toluylove [Czech] | BDBM50037786 | CCRIS 4737 | H20555V8NO | SCHEMBL10729751 | p-Toluenenitrile | p-Toluonitril
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504751438 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751438 Sonrisas canónicas CC1=CC=C(C=C1)C#N IUPAC Name 4-methylbenzonitrile InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N INCHI 1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3 Isómeros SMILES CC1=CC=C(C=C1)C#N WGK Alemania 2 RTECS XV0700000 PubChem CID 7724 Número ONU 3273 Grupo de embalaje I Peso molecular 117.15 Beilstein 507386 Reaxy-Rn 507386
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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzonitriles Intermediate Tree Nodes Not available Direct Parent Benzonitriles Alternative Parents Toluenes Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzonitrile - Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Insoluble in water; Very soluble in Ether,Alcohol Sensibilidad air sensitive&heat sensitive Punto de inflamación (°F) 185°F Punto de inflamación (°C) 85℃ Punto de ebullición (°C) 217℃ Punto de fusión (°C) 26-29℃ Peso molecular 117.150 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 117.058 Da Monoisotopic Mass 117.058 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 123.000 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
Citations of This Product Referencias 1. Jia-qi Bai, Mei Ma, Huangfei Liu, Zhangkai Qian, Durui Liu, Yuncai Zhao, Yijing Gao, Jingshuai Chen, Mengdie Cai, Song Sun. (2025) Efficient Cu–Ni/W20O58 Catalysts for Hydrogenation of Nitriles to Secondary Amines. ACS Catalysis, [PMID: [10.1021/acscatal.5c00668 ]
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