Babituric acid dihydrate
Barbituric acid
CAS: 67-52-7;223674-01-9
Molecular Formula: C4H4N2O3
Babituric acid dihydrate - Names and Identifiers
| Name | Barbituric acid |
| Synonyms | MALONYLUREA Malonylurea Barbiuric Acid Barbituric acid BARBITURIC ACID Balonylurea acid LABOTEST-BB LT00891695 Babituric acid dihydrate 2,4,6-Trihydroxypyrimidine BARBITURIC ACID CRYSTALLINE Fluorouracil Related CoMpound A 2,4,6(1H,3H,5H)-Pyrimidinetrione pyrimidine-2,4,6(1H,3H,5H)-trione 6-hydroxypyrimidine-2,4(1H,3H)-dione |
| CAS | 67-52-7 223674-01-9 |
| EINECS | 200-658-0 |
| InChI | InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9) |
| InChIKey | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
Babituric acid dihydrate - Physico-chemical Properties
| Molecular Formula | C4H4N2O3 |
| Molar Mass | 128.09 |
| Density | 1.6006 (rough estimate) |
| Melting Point | 248-252 °C (dec.) (lit.) |
| Boling Point | 260℃ (decomposition) |
| Flash Point | 150°C |
| Water Solubility | 142 g/L (20 ºC) |
| Solubility | 11.45g/l |
| Vapor Presure | 3.64E-15mmHg at 25°C |
| Appearance | Powder/Solid |
| Color | Light Cream |
| Odor | Odorless |
| Merck | 14,963 |
| BRN | 120502 |
| pKa | 4.01(at 25℃) |
| PH | 2-3 (50g/l, H2O, 60℃) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.4610 (estimate) |
| Physical and Chemical Properties | Character white crystalline powder. Odorless. melting point 245 ℃ boiling point 260 ℃ (decomposition) solubility: soluble in hot water and ether, insoluble in cold water and alcohol. |
| Use | Used as pharmaceutical intermediates, synthesis of barbiturate, phenobarbital, vitamin B12 and other drugs, also used as polymerization catalysts and raw materials for dyes |
Babituric acid dihydrate - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| RTECS | CP8000000 |
| TSCA | Yes |
| HS Code | 29335200 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
Babituric acid dihydrate - Upstream Downstream Industry
| Downstream Products | Barbitone sodium |
Babituric acid dihydrate - Nature
Open Data Verified Data
white crystalline powder. Melting point of 245 deg C, 280 deg C dehydration decomposition. Soluble in hot water and ether, difficult to dissolve in cold water and alcohol. Reaction with a metal to form a salt.
Last Update：2024-01-02 23:10:35
Babituric acid dihydrate - Use
Open Data Verified Data
used as raw materials for organic synthesis, pharmaceutical and plastic intermediates, also can be used as Colorimetric Determination of furfural and pentose reagents.
Last Update：2022-01-01 10:36:39
Babituric acid dihydrate - Preparation Method
Open Data Verified Data
obtained by the reaction of diethyl malonate with urea. Urea was first added to the reaction tank containing methanol and heated to reflux to dissolve, then dried diethyl malonate and sodium methoxide were added, and the reaction was refluxed at 66-68 ° C. For 4-5 hours. After the methanol is recovered by distillation, it is cooled to 40~50 ℃, hydrochloric acid is added, pH = 1~2 is adjusted, and the mixture is cooled to room temperature, the crude product is ejected, and washed once with distilled water, the crude product is spin dried, then refined by water and activated carbon, and spin dried to obtain the finished product.
Last Update：2022-01-01 10:36:40
Babituric acid dihydrate - Safety
Open Data Verified Data
This product is packed in a polyethylene film bag with a net weight of 25kg per barrel in an iron drum or cardboard drum for export.
Last Update：2022-01-01 10:36:40
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Downstream Products for Babituric acid dihydrate