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 |
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 |
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 |
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 |