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Cas Database |
| Name |
1,3-Dimethylurea |
EINECS | 202-498-7 |
| CAS No. | 96-31-1 | Density | 0.949 g/cm3 |
| PSA | 41.13000 | LogP | 0.32700 |
| Solubility | 765 g/L (21.5 °C) in water | Melting Point |
101-104 °C(lit.) |
| Formula | C3H8N2O | Boiling Point | 269 °C at 760 mmHg |
| Molecular Weight | 88.1093 | Flash Point | 124.3 °C |
| Transport Information | N/A | Appearance | white flake |
| Safety | 22-24/25 | Risk Codes | 62-63-68 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Urea,1,3-dimethyl- (8CI);N,N'-Dimethylurea;NSC 14910;NSC 24823;Symmetric dimethylurea;sym-Dimethylurea; |
Article Data | 79 |
1,3-Dimethylurea Synthetic route
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 97% |
- 130749-94-9
1,3-Dimethyl-5-(1-phenyl-ethyl)-[1,3,5]triazinan-2-one
A
- 96-31-1
N,N'-Dimethylurea
B
- 618-36-0
rac-methylbenzylamine
| Conditions | Yield |
|---|---|
| With ammonium chloride at 70℃; for 3h; other hexahydro-2-oxo-1,3,5-triazines; | A n/a B 90% |
- 124-41-4
sodium methylate
- 80981-25-5
1,3-Dimethyl-1-(1H-pyrazole-4-carbonyl)-urea
A
- 51105-90-9
methyl pyrazole-4-carboxylate
B
- 96-31-1
N,N'-Dimethylurea
| Conditions | Yield |
|---|---|
| In methanol for 2h; Heating; | A 79% B 83% |
- 80981-25-5
1,3-Dimethyl-1-(1H-pyrazole-4-carbonyl)-urea
A
- 51105-90-9
methyl pyrazole-4-carboxylate
B
- 96-31-1
N,N'-Dimethylurea
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 2h; Heating; | A 79% B 83% |
| Conditions | Yield |
|---|---|
| With ytterbium(III) triflate In 1,4-dioxane at 90℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; | A n/a B 8% C 80% |
- 49785-67-3
1,3-dimethyl-4-thiouracil
- 6642-31-5
6-Amino-1,3-dimethylbarbituric acid
A
- 96-31-1
N,N'-Dimethylurea
B
- 74115-57-4
1,3-dimethyl-7-mercaptopyrido<2,3-d>pyrimidine-2,4-(1H,3H)-dione
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol | A n/a B 78% |
- 868-59-7
L-cysteine ethyl ester hydrochloride
A
- 96-31-1
N,N'-Dimethylurea
B
- 206876-90-6
ethyl (R)-4,5-dihydrothiazole-4-carboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane Heating; | A n/a B 78% |
- 534-13-4
N,N-dimethylthiourea
- 134-81-6
benzil
A
- 96-31-1
N,N'-Dimethylurea
B
- 137514-25-1
1,3,4,6-Tetramethyl-3a,6a-diphenyl-5-thioxo-hexahydro-imidazo[4,5-d]imidazol-2-one
C
- 16459-85-1
1,3-dimethyl-4,5-diphenyl-5-imidazoline-2-thioneN,N-dimethyl-4-oxo-4H-chromene-2-carboxamide
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol for 4h; Mechanism; Heating; other substrates; | A n/a B n/a C 71% |
| With hydrogenchloride In ethanol for 4h; Heating; | A n/a B n/a C 71% |
- 4869-46-9
1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde
- 93-91-4
1-phenylbutan-1,3-dione
A
- 96-31-1
N,N'-Dimethylurea
| Conditions | Yield |
|---|---|
| With potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate In N,N-dimethyl-formamide at 20℃; | A 6% B 70% |
- 6642-31-5
6-Amino-1,3-dimethylbarbituric acid
- 36980-95-7
5-(1,3-Dimethyl-2,4-dioxopyrimidil)methyl ketone
A
- 96-31-1
N,N'-Dimethylurea
B
- 74115-56-3
6-Acetyl-1,3-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 9h; Heating; | A n/a B 65% |
1,3-Dimethylurea Consensus Reports
1,3-Dimethylurea (CAS NO.96-31-1) is reported in EPA TSCA Inventory.
1,3-Dimethylurea Specification
The 1,3-Dimethylurea, with CAS number of 96-31-1, can be called N,N'-Dimethylharnstoff ; N,N'-Dimethylurea ; Symmetric dimethylurea ; sym-Dimethylurea . It is a white crystal, 1,3-Dimethylurea (CAS NO.96-31-1) is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Properties of 1,3-Dimethylurea：
(1)H bond acceptors: 3; (2)H bond donors: 2; (3)Freely Rotating Bonds: 0; (4)Index of Refraction: 1.413; (5)Molar Refractivity: 23.16 cm3; (6)Molar Volume: 92.8 cm3; (7)Surface Tension: 27.4 dyne/cm; (8)Density: 0.949 g/cm3; (9)Flash Point: 124.3 °C; (10)Enthalpy of Vaporization: 50.71 kJ/mol; (11)Boiling Point: 269 °C at 760 mmHg; (12)Vapour Pressure: 0.00744 mmHg at 25°C; (13)EINECS: 202-498-7; (14)Melting point: 101-104 °C(lit.); (15)Storage temp: Store at RT. ; (16)Water Solubility: 765 g/L (21.5 oC); (17)BRN: 1740672; (18)Polar Surface Area: 23.55 Å2
Structure Descriptors of 1,3-Dimethylurea:
(1)SMILES:O=C(NC)NC;
(2)Std. InChI:InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6);
(3)Std. InChIKey:MGJKQDOBUOMPEZ-UHFFFAOYSA-N.
Toxicity of 1,3-Dimethylurea:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source mouse LDLo intraperitoneal 4962mg/kg (4962mg/kg) BEHAVIORAL: TREMOR
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
LUNGS, THORAX, OR RESPIRATION: CYANOSISJournal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935. rat LD50 unreported > 2gm/kg (2000mg/kg) Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1073, 1969.
Use of 1,3-Dimethylurea:
1,3-Dimethylurea is used for synthesis of caffeine, theophylline, pharmachemicals, textile aids, herbicides and others. In the textile processing industry 1,3-dimethylurea is used as intermediate for the production of formaldehyde-free easy-care finishing agents for textiles. The estimated world production of DMU is estimated to be less than 25,000 tons.
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