N,N-Diethylformamide（DEF） - ≥99% , CAS No.617-84-5

CAS: 617-84-5 Cat. No.: D102964 Formula: C₅H₁₁NO Molecular Weight: 101.15 Beilstein Registry Number: 1209392 EC Number: 210-533-2

GRADE & PURITY ≥99%

Synonyms

BRN 1209392 | NCGC00248876-01 | AS-17885 | EN300-91618 | N-Formyldiethylamine | SCHEMBL27084 | FT-0629473 | AKOS009156839 | Diethylformamide | diethyl-formamide | NSC 6242 | Tox21_200919 | Formamide, N,N-diethyl- | N,N-diethyl formamide | N,N-diethylormam

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

N,N-Diethylformamide undergoes condensation with aromatic o-aminonitriles in the presence of ZnCl2 in sealed reactor to yield quinazoline-2,4(1H,3H)-dione.

Purpose

N,N-Diethylformamide was used in the synthesis of metal-organic frameworks. It was also used as solvent in the synthesis of porous cubic-shaped ZnO particles

Specifications

Synonyms

BRN 1209392 | NCGC00248876-01 | AS-17885 | EN300-91618 | N-Formyldiethylamine | SCHEMBL27084 | FT-0629473 | AKOS009156839 | Diethylformamide | diethyl-formamide | NSC 6242 | Tox21_200919 | Formamide, N,N-diethyl- | N,N-diethyl formamide | N,N-diethylormam

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488181522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181522

Canonical Smiles

CCN(CC)C=O

IUPAC Name

N,N-diethylformamide

InChIKey

SUAKHGWARZSWIH-UHFFFAOYSA-N

INCHI

1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3

Isomeric SMILES

CCN(CC)C=O

WGK Germany

1

RTECS

LQ1925000

UN Number

1993

Molecular Weight

101.15

Beilstein

1209392

Reaxy-Rn

1209392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Miscible with acetone, benzene, alcohol and ether.
• Sensitivity: Light sensitive；Air sensitive
• x_refractive_index: 1.434
• x_flash_point_drop_fahrenheit: 140 °F
• x_flash_point_drop_centigrade: 60 °C
• x_boil_point_char: 176-177°C
• Molecular Weight: 101.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• 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