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N,N’-Dimethylurea

Short Description:


  • Chemical Name: 1,3-Dimethylurea N,N'-Dimethylurea
  • CAS No.: 96-31-1
  • Deprecated CAS: 475470-59-8
  • Molecular Formula: C3H8N2O
  • Counting Atoms: 3 Carbon atoms,8 Hydrogen atoms,2 Nitrogen atoms,1 Oxygen atoms,
  • Molecular Weight: 88.1093
  • Hs Code.: 3102.10
  • European Community (EC) Number: 202-498-7
  • ICSC Number: 1745
  • NSC Number: 24823,14910
  • UNII: WAM6DR9I4X
  • DSSTox Substance ID: DTXSID5025156
  • Nikkaji Number: J4.720A
  • Wikipedia: Dimethylurea
  • Wikidata: Q419740
  • Metabolomics Workbench ID: 43738
  • ChEMBL ID: CHEMBL1234380
  • Mol file: 96-31-1.mol
  • Product Detail

    Product Tags

    product (1)

    Chemical Property of 1,3-Dimethylurea

    ● Appearance/Colour: white flake
    ● Vapor Pressure: 0.00744mmHg at 250
    ● Melting Point: 101-104°C(lit.)
    ● Refractive Index: 1.413
    ● Boiling Point: 269 Cat 760 mmHg
    ● PKA: 14.5710.46(Predicted)
    ● Flash Point: 124.3°C
    ● PSA: 41.13000
    ● Density: 0.949 g/cm3
    ● LogP: 0.32700
    ● Storage Temp.: Store at RT.

    ● Solubility.: H2O: 0.1 g/mL, clear, d
    ● Water Solubility.: 765 g/L(21.5C)
    ● XLogP3: -0.5
    ● Hydrogen Bond Donor Count: 2
    ● Hydrogen Bond Acceptor Count: 1
    ● Rotatable Bond Count: 0
    ● Exact Mass: 88.063662883
    ● Heavy Atom Count: 6
    ● Complexity: 46.8

    Purity/Quality

    99%, *data from raw suppliers

    N,N"-Dimethylurea *data from reagent suppliers

    Safty Information

    ● Pictogram(s):
    ● Hazard Codes:
    ● Statements:62-63-68
    ● Safety Statements:22-24/25

    MSDS Files

    SDS file from LookChem

    Useful

    ● Chemical Classes: Nitrogen Compounds -> Urea Compounds
    ● Canonical SMILES: CNC(=O)NC
    ● Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.
    ● Effects of Short Term Exposure: The substance is mildly irritating to the eyes and skin.
    ● Description: 1, 3-Dimethylurea is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity. It is also used for synthesis of caffeine, pharmachemicals, textile aids, herbicides and other. In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles. In the Swiss Product Register there are 38 products containing 1,3-dimethylurea, among them 17 products intended for consumer use. Product types are e.g. paints and cleaning agents. The content of 1,3-dimethylurea in consumer products is up to 10 % (Swiss Product Register, 2003). Use in cosmetics has been proposed, but there is no information available as to its actual use in such applications.1,3-Dimethylurea is an organic compound with the formula (CH3)2NC(O)NH2. It is a colorless crystalline solid with high solubility in water. 1,3-Dimethylurea is commonly used as a solvent and catalyst in organic synthesis. It can be used in the synthesis of various compounds such as dyes, fluorescent dyes, and plastics. In the pharmaceutical industry, 1,3-dimethylurea is also used to synthesize some pharmaceutical intermediates. In addition, it is used in industries such as coatings and adhesives. It is important to note that 1,3-dimethylurea is irritating to the skin and eyes, so proper safety precautions should be taken when handling.
    ● Uses: N,N′-Dimethylurea can be used:As a starting material to synthesize N,N′-dimethyl-6-amino uracil. In combination with β-cyclodextrin derivatives, to form low melting mixtures (LMMs), which can be used as solvents for hydroformylation and Tsuji-Trost reactions.To synthesize N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.


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