N,N-Dimethyl-3-nitroaniline - ≥98% , CAS No.619-31-8

CAS: 619-31-8 Cat. No.: D113445 Peso molecular: 166.18 Beilstein Registry Number: 12701 Número EC: 210-590-3

GRADE & PURITY ≥98%

Synonyms

FT-0629506 | AI3-08873 | AKOS003616734 | InChI=1/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H | F0020-1799 | NSC 9814 | EINECS 210-590-3 | NSC9814 | NSC-9814 | N,N-Dimethyl-3-nitroaniline | N,N-dimethyl-3-nitro-aniline | MFCD00007236 | 3-Nitro-N,N-d

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

FT-0629506 | AI3-08873 | AKOS003616734 | InChI=1/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H, 1-2H | F0020-1799 | NSC 9814 | EINECS 210-590-3 | NSC9814 | NSC-9814 | N, N-Dimethyl-3-nitroaniline | N, N-dimethyl-3-nitro-aniline | MFCD00007236 | 3-Nitro-N, N-d

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184277
• Sonrisas canónicas: CN(C)C1=CC(=CC=C1)[N+](=O)[O-]
• IUPAC Name: N,N-dimethyl-3-nitroaniline
• InChIKey: CJDICMLSLYHRPT-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
• Isómeros SMILES: CN(C)C1=CC(=CC=C1)[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 166.18
• Beilstein: 12701
• Reaxy-Rn: 1841745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1841745&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 285°C
• Punto de fusión (°C): 60°C
• Peso molecular: 166.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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