3,5-Dinitro-o-toluic acid - ≥98% , CAS No.28169-46-2

CAS: 28169-46-2 Cat. No.: D169248 Formula: C8H6N2O6 Peso molecolare: 226.14 Numero EC: 248-880-7
Disponibile su ordine
GRADE & PURITY ≥98%
Synonyms
3,5-Dinitro-2-methylbenzoic acid | 3,5-Dinitro-2-methyl-benzoic Acid | Dinitolmide Impurity B | INCB-28060 | o-Toluic acid,5-dinitro- | FT-0614723 | Benzoic acid, 2-methyl-3,5-dinitro- | W-107067 | BBL025692 | 3,5-Dinitro-o-toluic acid | A819361 | A-1443
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
25g
D169248-25g
—
3 Disponibile
8,59€
100g
D169248-100g
—
6 Disponibile
17,27€
500g
D169248-500g
—
1 Disponibile
66,73€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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.

Panoramica

Synthesis of a series of heterocyclic derivatives of 3,5-dinitro-o-toluic acid has been reported.

3,5-Dinitro-o-toluic acid was used in the synthesis of isoquinolone.

Specifications

Sinonimi
3,5-Dinitro-2-methylbenzoic acid | 3,5-Dinitro-2-methyl-benzoic Acid | Dinitolmide Impurity B | INCB-28060 | o-Toluic acid,5-dinitro- | FT-0614723 | Benzoic acid, 2-methyl-3,5-dinitro- | W-107067 | BBL025692 | 3,5-Dinitro-o-toluic acid | A819361 | A-1443
Specifiche e purezza
≥98%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥98%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187146
Sorrisi canonici
CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
IUPAC Name
2-methyl-3,5-dinitrobenzoic acid
InChIKey
CDVNZMKTJIBBBV-UHFFFAOYSA-N
INCHI
1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
Isomeri SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
WGK Germania
3
Peso molecolare
226.14
Reaxy-Rn
2622906
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2622906&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Nitrotoluenes
Direct ParentDinitrotoluenes
Alternative Parents Nitrobenzoic acids and derivatives  Nitrobenzenes  Benzoic acids  Nitroaromatic compounds  Benzoyl derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Dinitrotoluene - Nitrobenzoate - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDataOggetto
I2202157Certificate of AnalysisJun 11, 2026 D169248
K2115061Certificate of AnalysisAug 13, 2025 D169248
K2115062Certificate of AnalysisAug 13, 2025 D169248
K2115063Certificate of AnalysisAug 13, 2025 D169248
F1925070Certificate of AnalysisApr 12, 2023 D169248
G2304430Certificate of AnalysisNov 19, 2021 D169248
Proprietà chimiche e fisiche
Peso molecolare226.140 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass226.023 Da
Monoisotopic Mass226.023 Da
Topological Polar Surface Area129.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity319.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

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