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· · COA & SDS available for every product · 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 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
Specifications & Purity
≥98%(GC)
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504751438 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751438 Canonical Smiles 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 Isomeric SMILES CC1=CC=C(C=C1)C#N WGK Germany 2 RTECS XV0700000 PubChem CID 7724 UN Number 3273 Packing Group I Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water; Very soluble in Ether,Alcohol Sensitivity air sensitive&heat sensitive Flash Point(°F) 185°F Flash Point(°C) 85℃ Boil Point(°C) 217℃ Melt Point(°C) 26-29℃ Molecular Weight 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 References 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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