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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-[2-(2-methyl-3H-indol-3-ylidene)hydrazino]benzoic acid , CAS No.1164490-02-1
Synonyms
MLS000417037 | 3-[2-(2-methyl-3H-indol-3-ylidene)hydrazino]benzoic acid | SMR000241893 | 3-{2-[(3Z)-2-methyl-3H-indol-3-ylidene]hydrazin-1-yl}benzoic acid | 3-[(2-methyl-1H-indol-3-yl)diazenyl]benzoic acid | AF-399/15600008 | BDBM60019 | cid_6060317 | 3-[
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
MLS000417037 | 3-[2-(2-methyl-3H-indol-3-ylidene)hydrazino]benzoic acid | SMR000241893 | 3-{2-[(3Z)-2-methyl-3H-indol-3-ylidene]hydrazin-1-yl}benzoic acid | 3-[(2-methyl-1H-indol-3-yl)diazenyl]benzoic acid | AF-399/15600008 | BDBM60019 | cid_6060317 | 3-[
Product Properties Names and Identifiers Canonical Smiles CC1=C(C2=CC=CC=C2N1)N=NC3=CC=CC(=C3)C(=O)O IUPAC Name 3-[(2-methyl-1H-indol-3-yl)diazenyl]benzoic acid InChIKey JVBIRLVMIFBNBF-UHFFFAOYSA-N INCHI 1S/C16H13N3O2/c1-10-15(13-7-2-3-8-14(13)17-10)19-18-12-6-4-5-11(9-12)16(20)21/h2-9,17H,1H3,(H,20,21) Isomeric SMILES CC1=C(C2=CC=CC=C2N1)N=NC3=CC=CC(=C3)C(=O)O PubChem CID 4292674 Molecular Weight 279.29
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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent Indoles Alternative Parents Benzoic acids Benzoyl derivatives Substituted pyrroles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoic acid or derivatives - Benzoic acid - Indole - Benzoyl - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azo compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 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 279.290 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 279.101 Da Monoisotopic Mass 279.101 Da Topological Polar Surface Area 77.800 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 412.000 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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