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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Aminobenzonitrile - ≥98% , CAS No.2237-30-1
Synonyms
m-Anthranilonitrile | Q27251743 | SCHEMBL71478 | 3-amino benzonitrile | Benzonitrile, 3-amino- | 4-14-00-01095 (Beilstein Handbook Reference) | AC-2453 | AM20060058 | 3-Aminobenzonitrile | 3-Amino-benzonitrile | MFCD00007756 | BRN 0636498 | EN300-20183 |
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview 3-Aminobenzonitrile on condensation reaction with 4-isothiocyanato-4-methyl pentane-2-one gives condensed monocyclic pyrimidine derivatives.
Specifications Synonyms
m-Anthranilonitrile | Q27251743 | SCHEMBL71478 | 3-amino benzonitrile | Benzonitrile, 3-amino- | 4-14-00-01095 (Beilstein Handbook Reference) | AC-2453 | AM20060058 | 3-Aminobenzonitrile | 3-Amino-benzonitrile | MFCD00007756 | BRN 0636498 | EN300-20183 |
Specifications & Purity
≥98%
Shipped In
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This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504752776 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752776 Canonical Smiles C1=CC(=CC(=C1)N)C#N IUPAC Name 3-aminobenzonitrile InChIKey NJXPYZHXZZCTNI-UHFFFAOYSA-N INCHI 1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2 Isomeric SMILES C1=CC(=CC(=C1)N)C#N WGK Germany 3 RTECS DI2454000 UN Number 3439 Packing Group III Molecular Weight 118.14 Beilstein 636498 Reaxy-Rn 636498 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636498&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 Benzonitriles Intermediate Tree Nodes Not available Direct Parent Benzonitriles Alternative Parents Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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 Soluble in Methanol Flash Point(°F) 233.6 °F Flash Point(°C) 112℃ Boil Point(°C) 288-290°C Melt Point(°C) 48-53°C Molecular Weight 118.140 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 118.053 Da Monoisotopic Mass 118.053 Da Topological Polar Surface Area 49.800 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 133.000 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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