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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Methyl-5-nitrobenzaldehyde - ≥98% , CAS No.16634-91-6
Synonyms
EN300-321153 | M2957 | AM20030113 | (E)-2-(1-Propenyl)cyclobutanone | JLFWTLNLOSUFMU-UHFFFAOYSA-N | 2-Methyl-5-nitrobenzaldehyde | 2-methyl-5-nitro-benzaldehyde | J-510006 | SCHEMBL5593051 | Z1198163365 | AC-7704 | MFCD03840506 | BENZALDEHYDE, 2-METHYL-5-
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal 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 Sinónimos
EN300-321153 | M2957 | AM20030113 | (E)-2-(1-Propenyl)cyclobutanone | JLFWTLNLOSUFMU-UHFFFAOYSA-N | 2-Methyl-5-nitrobenzaldehyde | 2-methyl-5-nitro-benzaldehyde | J-510006 | SCHEMBL5593051 | Z1198163365 | AC-7704 | MFCD03840506 | BENZALDEHYDE, 2-METHYL-5-
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Argon charged,Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767190
Sonrisas canónicas
CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
IUPAC Name
2-methyl-5-nitrobenzaldehyde
InChIKey
JLFWTLNLOSUFMU-UHFFFAOYSA-N
INCHI
1S/C8H7NO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-5H,1H3
Isómeros SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253419&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 Clase Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzaldehydes Alternative Parents Nitrotoluenes Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzaldehyde - Nitrotoluene - Benzaldehyde - Nitroaromatic compound - Benzoyl - Toluene - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Air Sensitive Punto de ebullición (°C) 114 °C/0.2 mmHg Punto de fusión (°C) 55 °C Peso molecular 165.150 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 165.043 Da Monoisotopic Mass 165.043 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 187.000 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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