2-Bromoisovalerric Acid
2-Bromoisovaleric acid
CAS: 565-74-2
Molecular Formula: C5H9BrO2
2-Bromoisovalerric Acid - Names and Identifiers
| Name | 2-Bromoisovaleric acid |
| Synonyms | 2-Bromo-iso-acid 3-bromopropyl acetate 2-BROMOISOVALERIC ACID α-Bromoisovaleric acid A-BROMOISOVALERIC ACID 2-Bromoisovaleric acid 2-Bromoisovalerric Acid 2-BROMOISOPENTANOIC ACID 1-acetoxy-3-bromopropane ALPHA-BROMOISOVALERIC ACID 2-bromo-3-methyl-butyricaci 2-Bromo-3-methylbutyric acid 2-bromo-3-methyl-butanoicaci 2-bromo-3-methylbutanoic acid 2-BROMO-3-METHYLBUTANOIC ACID (2R)-2-bromo-3-methylbutanoate (2S)-2-bromo-3-methylbutanoate |
| CAS | 565-74-2 |
| EINECS | 209-291-0 |
| InChI | InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/p-1/t4-/m1/s1 |
| InChIKey | UEBARDWJXBGYEJ-UHFFFAOYSA-N |
2-Bromoisovalerric Acid - Physico-chemical Properties
| Molecular Formula | C5H9BrO2 |
| Molar Mass | 181.03 |
| Density | 1.4210 (rough estimate) |
| Melting Point | 39-42°C(lit.) |
| Boling Point | 124-126°C20mm Hg(lit.) |
| Flash Point | 107°C |
| Solubility | alcohol: soluble(lit.) |
| Vapor Presure | 0.024mmHg at 25°C |
| Appearance | Crystalline Powder or Chunks |
| Color | White to beige |
| Merck | 14,1422 |
| BRN | 1721146 |
| pKa | 3.00±0.10(Predicted) |
| Refractive Index | 1.4790 (estimate) |
| Physical and Chemical Properties | Relative density: 1.38 Melting Point: 39-43 ℃ Boiling Point: 124-126 ℃(20mmHg) refractive index: flash point: 107 ℃ |
| Use | Used as an intermediate in organic synthesis |
2-Bromoisovalerric Acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| RTECS | ES8055000 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
2-Bromoisovalerric Acid - 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 as an intermediate in organic synthesis |
| Production method | Diethyl isopropyl malonate is saponified with potassium hydroxide solution to obtain isopropyl malonic acid, which reacts with bromine to form isopropyl Bromomalonic acid, the latter is heated to 125-130 ℃ to escape carbon dioxide, which is 2-bromo-3-methylbutyric acid. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral administration-rat LD50: 769 mg/kg; Skin-rat LD50: 1410 mg/kg |
| flammability hazard characteristics | thermal decomposition discharges toxic bromide vapor |
| 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 |
Last Update：2024-04-09 19:05:09
