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57-13-6

Basic Information
CAS No.: 57-13-6
Name: Urea
Molecular Structure:
Molecular Structure of 57-13-6 (Urea)
Formula: CH4N2O
Molecular Weight: 60.05
Synonyms: Carbamide;Carbonyl diamide;Carbonyldiamine;Diaminomethanal;Diaminomethanone;Prespersion, 75 urea;Urea-13C;Ureacin-20;Urepearl;
EINECS: 200-315-5
Density: 1.32 g/cm3
Melting Point: 131-135 °C
Boiling Point: 196.611 °C at 760 mmHg
Flash Point: 72.708 °C
Solubility: in water: 51.8 g/100 ml (20 °C), 54.5 g/100ml (25 °C), 71.7 g/100 ml (60 °C), 95.0 g/100 ml (120 °C)
Appearance: white solid
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-40
Safety: 26-36-24/25
Transport Information:
PSA: 69.11000
LogP: 0.42440
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Specification

Urea is a weak base and a organic compound with the formula CH4N2O. Urea is also called as carbamide which is white crystalline powder. It is highly soluble in water and non-toxic. Urea reacts with azo and diazo compounds to generate toxic gases, and reacts with strong reducing agents to form flammable gases. Urea should be sealed and stored in cool and dry place.

Physical properties about Urea are: (1)ACD/LogP: -1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): -1.66; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 2.98; (7)ACD/KOC (pH 7.4): 2.98; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)Index of Refraction: 1.469; (11)Molar Refractivity: 13.782 cm3; (12)Molar Volume: 49.517 cm3; (13)Polarizability: 5.464 10-24cm3; (14)Surface Tension: 55.3680000305176; (15)dyne/cm Density: 1.213 g/cm3; (16)Flash Point: 72.708 °C; (17)Enthalpy of Vaporization: 43.281 kJ/mol; (18)Boiling Point: 196.611 °C at 760 mmHg; (19)Vapour Pressure: 0.395000010728836 mmHg at 25°C

Preparation of Urea: The synthesis of Urea from an inorganic precursor was an important milestone in the development of organic chemistry, as it showed for the first time that a molecule found in living organisms could be synthesized in the lab without biological starting materials. In addition, Urea can be prepared by treating silver isocyanate with ammonium chloride.

AgNCO + NH4Cl → (NH2)2CO + AgCl

The Urea can also be prepared by ammonia and carbon dioxide. The mixture reacts to generate ammonium carbamate. Finally, you can gain Urea through dehydration.

NH3 + CO2 → H2NCONH4 → H2NCONH2

Meanwhile, the Urea can also be prepared by calcium cyanamide and sulfuric acid. The mixture reacts and generates cyanamide. After that, it reacts with H2O. Via decoloration and recrystallization, you can gain Urea.

CaNCN + H2SO4 → NH2CN + CaSO4
NH2CN + H2O → NH2CONH2

Uses of Urea : Urea is used as a nitrogen-release fertilizer in agriculture. In chemical industry it is a raw material for the manufacture of many important chemicals, such as: various plastics, especially the urea-formaldehyde resins; various adhesives, such as urea-formaldehyde or the urea-melamine-formaldehyde used in marine plywood ; potassium cyanate, another industrial feedstock; Urea nitrate, an explosive. And also Urea is used in topical dermatological products to promote rehydration of the skin. If covered by an occlusive dressing, 40% Urea preparations may also be used for nonsurgical debridement of nails. This Urea is also used as an earwax removal aid.

When you are using Urea, please be cautious about it: Urea is irritating to eyes, respiratory system and skin. And limited evidence of a carcinogenic effect. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing to avoid contact Urea with skin and eyes.

People can use the following data to convert to the molecule structure of Urea:
(1)SMILES: C(=O)(N)N
(2)InChI: InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4)
(3)InChIKey: XSQUKJJJFZCRTK-UHFFFAOYAF

Toxicity of Urea:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 3gm/kg (3000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1353, 1935.
dog LDLo subcutaneous 3gm/kg (3000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1353, 1935.
domestic animals - goat/sheep LDLo oral 511mg/kg (511mg/kg) BEHAVIORAL: TETANY

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Journal of Physiology. Vol. 153, Pg. 41, 1948.
frog LDLo subcutaneous 600mg/kg (600mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1353, 1935.
mouse LD50 intravenous 4600mg/kg (4600mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANTIPSYCHOTIC
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 749, 1977.
mouse LD50 oral 11gm/kg (11000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(12), Pg. 53, 1987.
mouse LD50 subcutaneous 9200mg/kg (9200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANTIPSYCHOTIC
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 749, 1977.
mouse LDLo intraperitoneal 6608mg/kg (6608mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: COMA
Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 19, 1936.
pigeon LDLo subcutaneous 14800mg/kg (14800mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo intravenous 4800mg/kg (4800mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1353, 1935.
rabbit LDLo oral 10gm/kg (10000mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

BLOOD: HEMORRHAGE
Japanese Journal of Veterinary Science. Vol. 15, Pg. 125, 1953.
rabbit LDLo subcutaneous 3gm/kg (3000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1353, 1935.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Naunyn-Schmiedebergs Archiv fuer Pharmakologie und Experimentelle Pathologie. Vol. 257, Pg. 296, 1967.
rat LD50 intratracheal 567mg/kg (567mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 43, 1986.
rat LD50 intravenous 5300mg/kg (5300mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 749, 1977.
rat LD50 oral 8471mg/kg (8471mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(6), Pg. 8, 1986.
rat LD50 subcutaneous 8200mg/kg (8200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ANTIPSYCHOTIC
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 749, 1977.