2-(2-Aminoethyl)isothiourea dihydrobromide
S-(2-aminoethyl)isothiouronium bromide hydrobromide
CAS: 56-10-0
Molecular Formula: C3H11Br2N3S
2-(2-Aminoethyl)isothiourea dihydrobromide - Names and Identifiers
2-(2-Aminoethyl)isothiourea dihydrobromide - Physico-chemical Properties
| Molecular Formula | C3H11Br2N3S |
| Molar Mass | 281.01 |
| Density | 1.94 g/cm3 |
| Melting Point | 190-196°C(lit.) |
| Water Solubility | almost transparency |
| Solubility | 50g/l |
| Merck | 14,178 |
| BRN | 3911163 |
| Storage Condition | Store below +30°C. |
| MDL | MFCD00037011 |
| Physical and Chemical Properties | White crystal. Melting point 194-195 ℃. Easily soluble in water, soluble in ethanol. Easy deliquescence and split ring to synthesize isomers. |
| Use | Applicable to traumatic Coma, Coma caused by cardiovascular disease, carbon monoxide poisoning, radiation injury and cerebral hypoxia |
2-(2-Aminoethyl)isothiourea dihydrobromide - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S22 - Do not breathe dust. |
| WGK Germany | 3 |
| RTECS | UM0175000 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | Yes |
| HS Code | 2930 90 98 |
| Toxicity | LD50 in mice (mg/kg): 100 i.v., 280 s.c., 480 i.p., 1600 orally (Pospisil) |
2-(2-Aminoethyl)isothiourea dihydrobromide - Reference Information
| chemical properties | white crystal. Melting point 194-195 ℃. Easily soluble in water, soluble in ethanol. Easy deliquescence and split ring to synthesize isomers. |
| use | used in organic synthesis, enzyme activator, radiation disease prevention, and free radical antidote. As a drug, the product can promote brain cell metabolism, increase the utilization of carbohydrates, and improve central excitability. It can quickly restore brain function in patients with traumatic coma, and has the effect of anti-central inhibitory drugs. It is suitable for coma caused by traumatic coma, cardiovascular disease, carbon monoxide poisoning, barbiturates and diazepam poisoning, radiation damage and cerebral hypoxia. suitable for coma, carbon monoxide poisoning, radiation injury and cerebral hypoxia caused by traumatic coma and cardiovascular diseases |
| production method | (1) bromination of aminoethanol to obtain bromoethylamine hydrobromide and condensation with thiourea to obtain bromination: bromination: hydrobromic acid is put into the reaction tank, after cooling, amino ethanol is added dropwise under stirring, and the dropwise addition is completed within 30min, then 85% hydrobromic acid is steamed out, and the steam is finished in about 20h. After the concentrated solution is cooled to 70-80°C, it is placed in pre-frozen acetone, then cooled to below 5°C for crystallization, filtered, washed with cold acetone, and dried to obtain bromoethylamine hydrobromide. Melting point 165 ℃. Condensation: mix and stir isopropanol and thiourea, heat to 70 ℃, quickly add bromoethylamine hydrobromide, increase the internal temperature to 82 ℃, and react for 40min. Cold to below 10 ℃, filter, wash with cold isopropanol, then wash with a small amount of ethyl acetate, dry, and get the crude product of Kenao Mi. Add 4.75 times methanol (V/V) and 0.02 times activated carbon into the crude product, stir, heat and reflux for 15-20min. Filter while hot, cool, and add 4.28 times the crude ether (V/V) after half an hour. Continue to cool, filter and dry after crystallization is complete to obtain the finished product. The total yield is 56-58% (for amino ethanol). (2) Synthesis using cycloethylamine, hydrobromic acid, and thiourea as raw materials: first mix thiourea and bromohydroacid, add cycloethylamine dropwise below 150 ℃, and after the reaction is completed, add activated carbon for filtration, and then dehydrate under reduced pressure, Crystallization is precipitated at a temperature below 50 ℃, filtered, and washed twice with anhydrous ethanol to obtain the finished product. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | abdominal cavity-rat LD50:288 mg/kg; Abdominal cavity-mouse LD50:400 mg/kg |
| flammability hazard characteristics | combustible; Combustion produces toxic nitrogen oxides, hydrogen bromide and sulfur oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, misty water |
| EPA chemical information | information provided by: ofmpub.epa.gov (external link) |
Last Update：2024-04-09 15:16:38
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