N,N-Dimetil-4-nitroanilina - ≥98%(GC) , CAS No.100-23-2

CAS: 100-23-2 Cat. No.: N159863 Peso molecular: 166.18 Beilstein Registry Number: 12(3)1583 Número EC: 202-832-1

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 202-832-1 | FT-0629510 | p-Nitro-N,N-dimetilanilina | AB01334117-02 | NCGC00342065-01 | 4-Nitro-N,N-dimetilanilina | p-Nitrodimetilanilina | Bencenamina,N-dimetil-4-nitro- | D0760 | AKOS003236433 | 1-(Dimethylamino)-4-nitrobenceno | p-(Dimethyl

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Aplicación：

Es un intermedio aromático y en el estudio experimental y teórico de la estructura de derivados de N,N-dimetil-4-nitroanilina como compuestos modelo para materiales orgánicos ópticos no lineales.

Specifications

Sinónimos

EINECS 202-832-1 | FT-0629510 | p-Nitro-N, N-dimetilanilina | AB01334117-02 | NCGC00342065-01 | 4-Nitro-N, N-dimetilanilina | p-Nitrodimetilanilina | Bencenamina, N-dimetil-4-nitro- | D0760 | AKOS003236433 | 1-(Dimethylamino)-4-nitrobenceno | p-(Dimethyl

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488180461
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180461
• Sonrisas canónicas: CN(C)C1=CC=C(C=C1)[N+](=O)[O-]
• IUPAC Name: N,N-dimethyl-4-nitroaniline
• InChIKey: QJAIOCKFIORVFU-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
• Isómeros SMILES: CN(C)C1=CC=C(C=C1)[N+](=O)[O-]
• RTECS: BX7035000
• Número ONU: 2811
• Grupo de embalaje: II
• Peso molecular: 166.18
• Beilstein: 12(3)1583
• Reaxy-Rn: 638087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638087&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

• Solubilidad: Soluble in dichloromethane. Insoluble in water. Solubility in hot methanol (almost transparency).
• Punto de fusión (°C): 165 °C
• Peso molecular: 166.180 g/mol
• XLogP3: 2.300
• 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: 157.000
• 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

Referencias

1. Hengyu Hao, Yuya Abe, Haixin Guo, Xiao Zhang, Richard Lee Smith Jr.  (2022)  Catalytic Transfer Hydrogenation and Ethanolysis of Furfural to Ethyl Levulinate Using Sulfonated Hf- or Ni-Catalysts Prepared with Mixed Solvents.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c04867]

2. Xing Long, Mingzhu Yao, Shaoyan Wang, Chuangqi Ren, Xiao Zhao, Chengrong Qin, Chen Liang, Caoxing Huang, Shuangquan Yao.  (2024)  Efficient separation of poplar lignin by a new carboxylic acid based eutectic solvent—choline chloride/malonic acid.  ChemSusChem,      [PMID:39719884] [10.1002/cssc.202402345]

3. Huimei Zhou, Wuliang Ma, Shaoning Wang, Enqing Zhu, Xin Li, Lili Zhang, Jinxia Ma, Zhiguo Wang.  (2024)  One pot approach for a recyclable, high-strength, wet-stable cellulose film.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153301]