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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Nitrobenzonitrile - ≥99%(GC) , CAS No.619-24-9
Synonyms
NSC5382 | NSC-5382 | AI3-16310 | SY008007 | InChI=1/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4 | Q63399425 | m-Nitrocyanobenzene | 3-Nitrobenzonitrile | 3-Nitro-benzonitrile | Benzonitrile, m-nitro- | UPCMLD0ENAT5345030:001 | Benzonitrile, 3-nitro-, radical
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Why this grade ≥99%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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.
Overview 3-Nitrobenzonitrile was employed as matrix for matrix assisted ionization vacuum method for mass spectrometery.
Specifications Synonyms
NSC5382 | NSC-5382 | AI3-16310 | SY008007 | InChI=1/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4 | Q63399425 | m-Nitrocyanobenzene | 3-Nitrobenzonitrile | 3-Nitro-benzonitrile | Benzonitrile, m-nitro- | UPCMLD0ENAT5345030:001 | Benzonitrile, 3-nitro-, radical
Specifications & Purity
≥99%(GC)
Names and Identifiers Pubchem Sid 488181534 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181534 Canonical Smiles C1=CC(=CC(=C1)[N+](=O)[O-])C#N IUPAC Name 3-nitrobenzonitrile InChIKey RUSAWEHOGCWOPG-UHFFFAOYSA-N INCHI 1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H Isomeric SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C#N WGK Germany 3 RTECS DI4900000 Molecular Weight 148.12 Beilstein 637674 Reaxy-Rn 637674 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637674&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 Benzenoids Class Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Benzonitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Benzonitrile - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Very soluble in Ether Boil Point(°C) 165°C/16mmHg(lit.) Melt Point(°C) 114-117°C(lit.) Molecular Weight 148.120 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 148.027 Da Monoisotopic Mass 148.027 Da Topological Polar Surface Area 69.600 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 200.000 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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