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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 5-Methyl-2-nitroaniline - ≥95% , CAS No.578-46-1
Synonyms
W-105437 | NCGC00091413-01 | 5-Methyl-2-nitro-phenylamine | NCGC00257887-01 | 4-12-00-01861 (Beilstein Handbook Reference) | Tox21_200333 | 3-AMINO-4-NITROTOLUENE | Q27294773 | Benzenamine, 3-methyl-6-nitro- | SY025679 | A19647 | BDBM50065372 | NCGC000914
Storage
Argon charged,Room temperature
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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.
Panoramica Description
5-Methyl-2-nitroaniline has been used in the preparation ofN-(5-methyl-2-nitrophenyl)-4-[N-(pyridin-3-ylmethoxy carbonyl)aminomethyl]benzamide.
Specifications Sinonimi
W-105437 | NCGC00091413-01 | 5-Methyl-2-nitro-phenylamine | NCGC00257887-01 | 4-12-00-01861 (Beilstein Handbook Reference) | Tox21_200333 | 3-AMINO-4-NITROTOLUENE | Q27294773 | Benzenamine, 3-methyl-6-nitro- | SY025679 | A19647 | BDBM50065372 | NCGC000914
Condizioni di conservazione di stoccaggio
Argon charged,Room temperature
Nomi e identificatori Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752110
Sorrisi canonici
CC1=CC(=C(C=C1)[N+](=O)[O-])N
IUPAC Name
5-methyl-2-nitroaniline
InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N
INCHI
1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
Isomeri SMILES
CC1=CC(=C(C=C1)[N+](=O)[O-])N
Gruppo di imballaggio
III
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691416&ln=
Documentazione 📋 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 Classe Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitrotoluenes Nitroaromatic compounds Aniline and substituted anilines Aminotoluenes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound Descrizione 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.
Struttura 3D Obiettivi associati (umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Sensibilità Air sensitive Punto di fusione (°C) 110-111°C Peso molecolare 152.150 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 152.059 Da Monoisotopic Mass 152.059 Da Topological Polar Surface Area 71.800 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 155.000 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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