5-Bromouracil
5-Bromouracil
CAS: 51-20-7
Molecular Formula: C4H3BrN2O2
5-Bromouracil - Names and Identifiers
| Name | 5-Bromouracil |
| Synonyms | BROMOURACIL 5-Bromouracil BROMOURACIL, 5- 5-Bromopyrimidine-2,4-diol 5-BROMO-1H-PYRIMIDINE-2,4-DIONE 2,4-dihydroxy-5-bromopyrimidine 5-BROMO-2,4-DIHYDROXYPYRIMIDINE 5-BROMO-2,3-DIHYDROXYPYRIMIDINE 5-bromopyrimidine-2,4(1H,3H)-dione 5-Bromo-2,4(1H,3H)-pyrimidinedione 5-BROMO-2,4-(1H,3H)-PYRIMIDINEDIONE 2,4(1H,3H)-Pyrimidinedione, 5-bromo- |
| CAS | 51-20-7 |
| EINECS | 200-084-0 |
| InChI | InChI=1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) |
| InChIKey | LQLQRFGHAALLLE-UHFFFAOYSA-N |
5-Bromouracil - Physico-chemical Properties
| Molecular Formula | C4H3BrN2O2 |
| Molar Mass | 190.98 |
| Density | 1.8710 (rough estimate) |
| Melting Point | >300 °C (lit.) |
| Boling Point | 384ºC |
| Specific Rotation(α) | [α]20D-22.5°--26.5°(0.5-2.0mg/ml，乙酸) |
| Water Solubility | SOLUBLE IN COLD WATER |
| Solubility | Soluble in cold water, ammonia and other alkalis. |
| Appearance | Granular fine crystal |
| Color | White |
| Merck | 14,1445 |
| BRN | 127176 |
| pKa | 6.77±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Sensitive to air |
| Refractive Index | 1.6200 (estimate) |
| MDL | MFCD00006017 |
| Physical and Chemical Properties | Granular fine crystals; Insoluble in water and petroleum ether, soluble in ethyl acetate and acetic acid; mp 80- 83 ℃; Specific optical rotation [α]20D-22.5 ° -- 26.5 °(0.5-2.0mg/ml, acetic acid). |
5-Bromouracil - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R46 - May cause heritable genetic damage |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | YQ9060000 |
| TSCA | Yes |
| HS Code | 29335995 |
5-Bromouracil - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Used for polypeptide synthesis and as an amino acid protective monomer. |
| Production method | Suspension of L-alanine in dioxane solution, acylation reaction with tert-butoxycarbonyl azide to obtain a crude product, which is then obtained by recrystallization and refining. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | abdominal cavity-rat LD50: 1700 mg/kg; Abdominal cavity-mouse LD50: 1400 mg/kg |
| flammability hazard characteristics | Thermal decomposition discharges toxic nitrogen oxides and bromide fumes |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:49:11
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