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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock 3-Nitrobenzaldehyde - ≥98% , CAS No.99-61-6
Synonyms
AC-10904 | A846056 | AI3-08906 | 3-nitrobenzenealdehyde | UNII-G4O92KO71Z | NSC5504 | NSC-5504 | 3-nitro benzaldehyde | FT-0616232 | 3-Nitrobenzaldehyde, ReagentPlus(R), 99% | Benzaldehyde, 3-nitro- | 3-NITROBENZALDEHYDE | 3-nitro-benzaldehyde | BBL011958
Storage
Room temperature,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonymes
AC-10904 | A846056 | AI3-08906 | 3-nitrobenzenealdehyde | UNII-G4O92KO71Z | NSC5504 | NSC-5504 | 3-nitro benzaldehyde | FT-0616232 | 3-Nitrobenzaldehyde, ReagentPlus(R), 99% | Benzaldehyde, 3-nitro- | 3-NITROBENZALDEHYDE | 3-nitro-benzaldehyde | BBL011958
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Room temperature,Argon charged
Noms et identifiants Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751346
Sourires canoniques
C1=CC(=CC(=C1)[N+](=O)[O-])C=O
IUPAC Name
3-nitrobenzaldehyde
InChIKey
ZETIVVHRRQLWFW-UHFFFAOYSA-N
INCHI
1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
Isomères SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386795&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 Classe Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzaldehydes Alternative Parents Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - 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 oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Description 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 a small molecule 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.
Structure 3D Cibles associées (humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Slightly soluble in water. Sensibilité Air sensitive. Point d'ébullition (°C) 164°C Point de fusion (°C) 58°C Poids moléculaire 151.120 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 151.027 Da Monoisotopic Mass 151.027 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 164.000 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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