2-Methyl-6-nitrobenzonitrile - ≥98% , CAS No.1885-76-3

CAS: 1885-76-3 Cat. No.: M158765 Summenformel: C8H6N2O2 Molekulargewicht: 162.15 Beilstein Registry Number: 9(1)189 EG-Nummer: 217-553-0
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GRADE & PURITY ≥98%
Synonyms
2-Cyano-3-methylnitrobenzene | SCHEMBL700631 | 6-Nitro-2-toluonitrile | BOTPDHNZLRJZOO-UHFFFAOYSA- | AE-562/43459835 | AKOS006222742 | FT-0633895 | 2-cyano-3-nitrotoluene | Benzonitrile, 2-methyl-6-nitro- | DTXSID90172205 | 6-Nitro-o-tolunitrile | EINECS
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
1g
M158765-1g
—
3 Auf Lager

14,66€

22,47€
Speichern 7,81 € (34.75%)
5g
M158765-5g
—
1 Auf Lager

51,98€

78,01€
Speichern 26,03 € (33.37%)
25g
M158765-25g
—
2 Auf Lager

208,17€

312,30€
Speichern 104,13 € (33.34%)
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.

📋

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.

Übersicht

Application

2-Methyl-6-nitrobenzonitrile was used in the synthesis of 5-arylthiomethyl-2,4-diaminoquinazolines. It was also used as starting reagent in the microwave assisted synthesis of 8-amino-2-methyl-3,4-dihydroisoquinolin-1-one.

Specifications

Synonyme
2-Cyano-3-methylnitrobenzene | SCHEMBL700631 | 6-Nitro-2-toluonitrile | BOTPDHNZLRJZOO-UHFFFAOYSA- | AE-562/43459835 | AKOS006222742 | FT-0633895 | 2-cyano-3-nitrotoluene | Benzonitrile, 2-methyl-6-nitro- | DTXSID90172205 | 6-Nitro-o-tolunitrile | EINECS
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184965
Kanonisches Lächeln
CC1=C(C(=CC=C1)[N+](=O)[O-])C#N
IUPAC Name
2-methyl-6-nitrobenzonitrile
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
INCHI
1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
Isomere SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])C#N
WGK Deutschland
3
Molekulargewicht
162.15
Beilstein
9(1)189
Reaxy-Rn
1950949
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950949&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitrotoluenes  Nitroaromatic compounds  Benzonitriles  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Nitriles  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitrotoluene - Benzonitrile - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

4 results found

Lot NumberCertificate TypeDatumArtikel
K2130439Certificate of AnalysisSep 09, 2025 M158765
K2130496Certificate of AnalysisSep 09, 2025 M158765
D2023157Certificate of AnalysisFeb 22, 2024 M158765
C2527743Certificate of AnalysisSep 17, 2021 M158765
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)108-110°C
Molekulargewicht162.150 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.043 Da
Monoisotopic Mass162.043 Da
Topological Polar Surface Area69.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity225.000
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
Lösungsrechner
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