4-Methyl-2-nitroaniline - analytical standard , CAS No.89-62-3

CAS: 89-62-3 Cat. No.: M109547 Summenformel: C₇H₈N₂O₂ Molekulargewicht: 152.15 Beilstein Registry Number: 879506 EG-Nummer: 201-924-9

GRADE & PURITY Analytical standard

Synonyms

4-Methyl-2-nitroaniline|89-62-3|2-NITRO-P-TOLUIDINE|4-Amino-3-nitrotoluene|3-Nitro-4-aminotoluene|2-Nitro-4-methylaniline|Fast Red GL|4-Methyl-6-nitroaniline|Benzenamine, 4-methyl-2-nitro-|Red Base NGL|4-Methyl-2-nitrobenzenamine|MNPT|1-Amino-2-nitro-4-me

Storage

Room temperature

Shipped In

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Specifications

Synonyme

4-Methyl-2-nitroaniline | 89-62-3 | 2-NITRO-P-TOLUIDINE | 4-Amino-3-nitrotoluene | 3-Nitro-4-aminotoluene | 2-Nitro-4-methylaniline | Fast Red GL | 4-Methyl-6-nitroaniline | Benzenamine, 4-methyl-2-nitro- | Red Base NGL | 4-Methyl-2-nitrobenzenamine | MNPT | 1-Amino-2-nitro-4-me

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

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Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528760741

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760741

Kanonisches Lächeln

CC1=CC(=C(C=C1)N)[N+](=O)[O-]

IUPAC Name

4-methyl-2-nitroaniline

InChIKey

DLURHXYXQYMPLT-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

Isomere SMILES

CC1=CC(=C(C=C1)N)[N+](=O)[O-]

WGK Deutschland

3

RTECS

XU8227250

UN-Nummer

2660

Verpackungsgruppe

III

Molekulargewicht

152.15

Beilstein

879506

Reaxy-Rn

879506

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879506&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 zwitterions 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 zwitterion - Organic oxide - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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: C-nitro compound

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

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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Lymphoblastoid cell (5959 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Plasmodium falciparum (966862 Activities)

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

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 157.2℃
• Flammpunkt (°C): 157.2℃
• Siedepunkt (°C): 140°C
• Schmelzpunkt (°C): 117°C
• Molekulargewicht: 152.150 g/mol
• XLogP3: 2.000
• 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