Dinitolmide - ≥98% , CAS No.148-01-6

CAS: 148-01-6 Cat. No.: D275470 Peso molecular: 225.16 Número EC: 205-706-4

GRADE & PURITY ≥98%

Synonyms

HMS1922A07 | o-Toluamide, 3,5-dinitro- | VS-01441 | 3,5-Dinitro-o-toluamide, 98% | HSDB 7192 | Z971222254 | ZEFNOZRLAWVAQF-UHFFFAOYSA-N | 2-Methyl-3,5-dinitrobenzamide | 2-methyl-3,5-dinitro-benzamide | 2-Methyl-3,5-dinitrobenzamide, 9CI | AOX68RY4TV | Di

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Product Describtion:
Water solubility of 3,5-Dinitro-o-toluamide (3,5-DNoTAME) is 447.5mg/L. It affords 3-amino-5-nitro-o-toluamide, via biological reduction.3,5-DNoTAME also forms colored complexes on reaction with various diamines and organic solvents.

Specifications

Sinónimos

HMS1922A07 | o-Toluamide, 3, 5-dinitro- | VS-01441 | 3, 5-Dinitro-o-toluamide, 98% | HSDB 7192 | Z971222254 | ZEFNOZRLAWVAQF-UHFFFAOYSA-N | 2-Methyl-3, 5-dinitrobenzamide | 2-methyl-3, 5-dinitro-benzamide | 2-Methyl-3, 5-dinitrobenzamide, 9CI | AOX68RY4TV | Di

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Broad-spectrum anticoccidial agent. Prevents 7 strains of Eimeria coccidium in vivo. Orally active.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488179740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179740
• Sonrisas canónicas: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
• IUPAC Name: 2-methyl-3,5-dinitrobenzamide
• InChIKey: ZEFNOZRLAWVAQF-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
• Isómeros SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
• Peso molecular: 225.16
• Reaxy-Rn: 1990738
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Nitrotoluenes
          • Level6 Dinitrotoluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Nitrotoluenes
• Direct Parent: Dinitrotoluenes
• Alternative Parents: o-Toluamides Nitrobenzenes 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 Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitrotoluene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - O-toluamide - Toluamide - Nitroaromatic compound - Benzoyl - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This 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

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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM
• Punto de fusión (°C): 170-180 °C (lit.)
• Peso molecular: 225.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.039 Da
• Monoisotopic Mass: 225.039 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 321.000
• 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