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 Methyl 5-cyano-2-methylbenzoate - ≥95% , CAS No.103261-68-3
Synonyms
MFCD18399111 | methyl-5-cyano-2-methylbenzoate | Methyl5-cyano-2-methylbenzoate | NLJITVMSLMNYSZ-UHFFFAOYSA-N | 2-Methyl-5-cyanobenzoic Acid Methyl Ester | Methyl 5-cyano-2-methylbenzoate | SB30287 | F13829 | SY244242 | Benzoic acid, 5-cyano-2-methyl-, me
Storage
Room temperature,Desiccated
🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature,Desiccated 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
MFCD18399111 | methyl-5-cyano-2-methylbenzoate | Methyl5-cyano-2-methylbenzoate | NLJITVMSLMNYSZ-UHFFFAOYSA-N | 2-Methyl-5-cyanobenzoic Acid Methyl Ester | Methyl 5-cyano-2-methylbenzoate | SB30287 | F13829 | SY244242 | Benzoic acid, 5-cyano-2-methyl-, me
Specifications & Purity
≥95%
Storage
Room temperature, Desiccated
Names and Identifiers Pubchem Sid 504765180 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765180 Canonical Smiles CC1=C(C=C(C=C1)C#N)C(=O)OC IUPAC Name methyl 5-cyano-2-methylbenzoate InChIKey NLJITVMSLMNYSZ-UHFFFAOYSA-N INCHI 1S/C10H9NO2/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-5H,1-2H3 Isomeric SMILES CC1=C(C=C(C=C1)C#N)C(=O)OC Molecular Weight 175.18 Reaxy-Rn 2575806 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575806&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 Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Benzonitriles Toluenes Methyl esters Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzonitrile - Benzoyl - Toluene - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 175.180 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 175.063 Da Monoisotopic Mass 175.063 Da Topological Polar Surface Area 50.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 241.000 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.
J2326725