The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Amino-4-(phenylamino)benzonitrile - ≥96% , CAS No.68765-52-6
Synonyms
SMR000141280 | SB78653 | AKOS008965767 | HMS1586J14 | DTXSID10358241 | 3-amino-4-anilinobenzonitrile | SCHEMBL13610402 | SR-01000234811-1 | BS-24616 | MLS000533842 | A866983 | MFCD02376089 | SY029482 | 2-Amino-4-cyan-diphenylamin; 3-amino-4-anilino-benzon
🧪
Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
SMR000141280 | SB78653 | AKOS008965767 | HMS1586J14 | DTXSID10358241 | 3-amino-4-anilinobenzonitrile | SCHEMBL13610402 | SR-01000234811-1 | BS-24616 | MLS000533842 | A866983 | MFCD02376089 | SY029482 | 2-Amino-4-cyan-diphenylamin; 3-amino-4-anilino-benzon
Specifications & Purity
≥96%
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)NC2=C(C=C(C=C2)C#N)N IUPAC Name 3-amino-4-anilinobenzonitrile InChIKey IQOJDSWWUHQSEO-UHFFFAOYSA-N INCHI 1S/C13H11N3/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-8,16H,15H2 Isomeric SMILES C1=CC=C(C=C1)NC2=C(C=C(C=C2)C#N)N Molecular Weight 209.2 Reaxy-Rn 2975837 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2975837&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 Secondary amines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aniline or substituted anilines - Benzonitrile - Secondary amine - 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 Molecular Weight 209.250 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 209.095 Da Monoisotopic Mass 209.095 Da Topological Polar Surface Area 61.800 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 262.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
