2-Methyl-3-nitroaniline - ≥98% , CAS No.603-83-8

CAS: 603-83-8 Cat. No.: M106751 Formula: C₇H₈N₂O₂ Molecular Weight: 152.15 Beilstein Registry Number: 388393 EC Number: 210-059-6

GRADE & PURITY ≥98%

Synonyms

F8880-4835 | NCGC00091779-02 | UNII-D3JC433CEB | 2-Methyl-3-nitroaniline, 97% | P20503 | 2-Amino-6-nitrotoluene | 2-amino-6-nitro-toluene | 3-NITRO-O-TOLUIDINE | AKOS024268502 | Methyl-3-nitroaniline, 2- | 2-Methyl-3-nitroaniline | 2-methyl-3-nitro-anilin

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline) exhibits a stripping voltammetric behaviour that has been studied using a C(18) modified, carbon paste electrode.

Specifications

Synonyms

F8880-4835 | NCGC00091779-02 | UNII-D3JC433CEB | 2-Methyl-3-nitroaniline, 97% | P20503 | 2-Amino-6-nitrotoluene | 2-amino-6-nitro-toluene | 3-NITRO-O-TOLUIDINE | AKOS024268502 | Methyl-3-nitroaniline, 2- | 2-Methyl-3-nitroaniline | 2-methyl-3-nitro-anilin

Specifications & Purity

≥98%

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181431
• Canonical Smiles: CC1=C(C=CC=C1[N+](=O)[O-])N
• IUPAC Name: 2-methyl-3-nitroaniline
• InChIKey: HFCFJYRLBAANKN-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
• Isomeric SMILES: CC1=C(C=CC=C1[N+](=O)[O-])N
• WGK Germany: 3
• RTECS: XU8200000
• UN Number: 2660
• Packing Group: III
• Molecular Weight: 152.15
• Beilstein: 388393
• Reaxy-Rn: 388393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes Nitroaromatic compounds Aniline and substituted anilines Aminotoluenes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This 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

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive；Light sensitive
• Boil Point(°C): 305°C
• Melt Point(°C): 87-91°C
• Molecular Weight: 152.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

References

1. Zhenggong Wang, Huiting Ren, Shenxiang Zhang, Feng Zhang, Jian Jin.  (2018)  Carbon Molecular Sieve Membranes Derived from Tröger's Base-Based Microporous Polyimide for Gas Separation.  ChemSusChem,  11  (5): (916-923).  [PMID:29349873] [10.1002/cssc.201702243]