CAS 96-31-1 1,3-Dimethylurea, 98% - Catalysts / Alfa Chemistry

Synonyms

AN-24343; MFCD00008286 (95+%); MGJKQDOBUOMPEZ-UHFFFAOYSA-N; EINECS 202-498-7; CJ-05979; N,N'-Dimethylharnstoff [German]; 1,3- paragraph signthorn(1/4)x>>uea; 1,3-Dimethylurea, 98%; CHEMBL1234380; TR-038605;

IUPAC Name

1,3-dimethylurea;

Molecular Weight

88.11g/mol

Molecular Formula

(CH3NH)2CO;C3H8N2O;

Canonical SMILES

CNC(=O)NC;

InChI

InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6);

InChI Key

MGJKQDOBUOMPEZ-UHFFFAOYSA-N;

Melting Point

226 ° F (NTP, 1992);108.0°C;108 DEG C;102-107 °C;

Density

1.142 (NTP, 1992);1.142;1.1 g/cm³;

Solubility

greater than or equal to 100 mg/mL at 70° F (NTP, 1992);VERY SOL IN WATER & ALCOHOL;INSOL IN ETHER;Solubility in water, g/100ml at 21.5 °C: 76.5 (good);

Storage

Store at RT.

Color Form

RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER;COLORLESS PRISMS;

Complexity

46.8

Covalently-Bonded Unit Count

EC Number

202-498-7

Exact Mass

88.064g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

ICSC Number

1745

Monoisotopic Mass

88.064g/mol

NSC Number

24823

Topological Polar Surface Area

41.1A^2

UNII

WAM6DR9I4X

Vapor Pressure

Vapor pressure, Pa at 20 °C: 0.042;

Application

1,3-Dimethylurea, 98%, serves as a versatile urea derivative primarily used as an intermediate in organic synthesis. This colorless crystalline powder, known for its low toxicity, finds application in the production of caffeine, pharmaceuticals, textile aids, and herbicides. In the textile processing industry, it plays a crucial role as an intermediate in creating formaldehyde-free, easy-care finishing agents. Additionally, it is present in various consumer products, including paints and cleaning agents, with usage levels reaching up to 10%. While its use in cosmetics has been suggested, current data on such applications remains unavailable. Its functionality extends to acting as a starting material in synthesizing N,N'-dimethyl-6-amino uracil, forming low melting mixtures with β-cyclodextrin derivatives for reactions such as hydroformylation and Tsuji-Trost, and participating in Biginelli condensation to produce N,N'-disubstituted-4-aryl-3,4-dihydropyrimidinones under solvent-free conditions. As an amide, 1,3-Dimethylurea also demonstrates chemical reactivity with various compounds, although its potential in diverse applications highlights its importance in industrial and consumer product formulations.

January 11, 2025

Reliable and Versatile Research Companion

I used 1,3-Dimethylurea, 98% in organic synthesis as an intermediate to produce N,N'-dimethyl-6-amino uracil. Its purity and crystalline form made it a dependable choice for precise experiments.