N,N-Dibutylformamide - ≥98%(GC) , CAS No.761-65-9

CAS: 761-65-9 Cat. No.: N159301 Peso molecular: 157.26 Beilstein Registry Number: 636100 Número EC: 212-090-0

GRADE & PURITY ≥98%(GC)

Synonyms

SY013148 | WLN: VHN4&4 | EINECS 212-090-0 | NSC404525 | NSC-404525 | AI3-18810 | A849002 | NSC 404525 | 4-04-00-00565 (Beilstein Handbook Reference) | Q27258593 | AMY3064 | DTXSID3022114 | AKOS009157162 | Formamide, N,N-dibutyl- | DI(N-BUTYL)FORAMIDE, N,N

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application
N,N-Di-n-butylformamide is used as an organic chemical synthesis intermediate.

Specifications

Sinónimos

SY013148 | WLN: VHN4&4 | EINECS 212-090-0 | NSC404525 | NSC-404525 | AI3-18810 | A849002 | NSC 404525 | 4-04-00-00565 (Beilstein Handbook Reference) | Q27258593 | AMY3064 | DTXSID3022114 | AKOS009157162 | Formamide, N, N-dibutyl- | DI(N-BUTYL)FORAMIDE, N, N

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752407
• Sonrisas canónicas: CCCCN(CCCC)C=O
• IUPAC Name: N,N-dibutylformamide
• InChIKey: NZMAJUHVSZBJHL-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
• Isómeros SMILES: CCCCN(CCCC)C=O
• WGK Alemania: 1
• RTECS: LQ1833000
• Peso molecular: 157.26
• Beilstein: 636100
• Reaxy-Rn: 636100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636100&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Índice de refracción: 1.44
• Punto de inflamación (°F): 212 °F
• Punto de inflamación (°C): 100°C(lit.)
• Punto de ebullición (°C): 243°C
• Punto de fusión (°C): <-30°
• Peso molecular: 157.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 157.147 Da
• Monoisotopic Mass: 157.147 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 85.600
• 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. Zhigang Li, Junjie Wang, Xiao Chen, Shaoyang Hu, Tingting Gong, Qiming Xian.  (2019)  A novel molecularly imprinted polymer-solid phase extraction method coupled with high performance liquid chromatography tandem mass spectrometry for the determination of nitrosamines in water and beverage samples.  FOOD CHEMISTRY,      [PMID:31054675] [10.1016/j.foodchem.2019.04.036]

2. Sen Xue, Qian Wei, Rui Zhang, Tianyu Zhang, Gaigai Duan, Xiaoshuai Han, Kunming Liu, Jingquan Han, Shuijian He, Shaohua Jiang.  (2024)  Spiroborate-based three dimensional covalent organic framework for effective adsorption and separation of organic dyes.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126941]