3-Methyl-4-Nitrobenzamide - ≥97% , CAS No.99584-85-7

CAS: 99584-85-7 Cat. No.: M698311 Formula: C8H8N2O3 Peso molecolare: 180.16 Numero EC: 635-587-8 PubChem CID: 595900
Disponibile su ordine
GRADE & PURITY ≥97%
Synonyms
4-Nitro-m-toluamide
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Germania (EU)
USA*
Price
Qty
1g
M698311-1g
Su ordinazione · 8–12 settimane
60,65€
5g
M698311-5g
Su ordinazione · 8–12 settimane
112,72€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
4-Nitro-m-toluamide
Specifiche e purezza
≥97%
Condizioni di conservazione di stoccaggio
Store at 2-8°C,Desiccated
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥97%
Proprietà del prodotto
ALogP
1.7
Nomi e identificatori
Sorrisi canonici
CC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]
IUPAC Name
3-methyl-4-nitrobenzamide
InChIKey
BCAAGQMIPKPDDX-UHFFFAOYSA-N
INCHI
1S/C8H8N2O3/c1-5-4-6(8(9)11)2-3-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
Isomeri SMILES
CC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]
PubChem CID
595900
Peso molecolare
180.16

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
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents m-Toluamides  Nitrotoluenes  Benzamides  Nitroaromatic compounds  Benzoyl derivatives  Primary carboxylic acid amides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzamide - Benzoic acid or derivatives - Nitrobenzene - M-toluamide - Toluamide - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Carboxamide group - Primary carboxylic acid amide - 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 - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescrizioneThis 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
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:
Proprietà chimiche e fisiche
Peso molecolare180.160 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass180.053 Da
Monoisotopic Mass180.053 Da
Topological Polar Surface Area88.900 Ų
Heavy Atom Count13
Formal Charge0
Complexity224.000
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
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