Name | 2-Bromohexanoic acid |
Synonyms | 2-BROMOHEXANOATE BROMOHEXANOIC ACID 2-Bromohexanoic acid 2-BROMOHEXANOIC ACID (2R)-2-bromohexanoate (2S)-2-bromohexanoate DL-a-Bromocaproic acid DL-2-Bromohexanoic acid Alpha-bromohexanoic acid (2S)-2-bromohexanoic acid 2-Bromohexanoic Acid(Alpha-Bromo-N-Caproic Acid) |
CAS | 616-05-7 |
EINECS | 210-461-1 |
InChI | InChI=1/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/p-1/t5-/m1/s1 |
Molecular Formula | C6H11BrO2 |
Molar Mass | 195.05 |
Density | 1.37 g/mL at 25 °C (lit.) |
Melting Point | 4 °C |
Boling Point | 136-138 °C/18 mmHg (lit.) |
Flash Point | >230°F |
Water Solubility | soluble |
Solubility | alcohol: soluble(lit.) |
Vapor Presure | 0.0131mmHg at 25°C |
Appearance | Liquid |
Color | Clear light brown to brown |
Merck | 14,1415 |
BRN | 1721762 |
pKa | 2.97±0.21(Predicted) |
Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
Refractive Index | n20/D 1.472(lit.) |
MDL | MFCD00004218 |
Physical and Chemical Properties | Relative density: 1.37 Melting Point: 40 ℃ Boiling Point: 240 ℃ refractive index: 1.471-1.475 |
Use | Used as an intermediate in organic synthesis |
Hazard Symbols | C - Corrosive |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R22 - Harmful if swallowed |
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 3265 8/PG 2 |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29159000 |
Hazard Class | 8 |
Packing Group | II |
chemical properties | colorless liquid. Melting point 4 ℃. Boiling point 240 ℃,128-136 ℃(2.61kPa), relative density 1.370, refractive index 1.4720. Soluble in alcohol and ether. |
Use | Used as an intermediate in organic synthesis |
production method | first mix the dried bromine and the newly steamed n-caproic acid, carefully add phosphorus trichloride, heat to 65-70 ℃, react to release a large amount of hydrogen bromide, and then raise the temperature to 100 ℃ after 5-6h. The resulting product was distilled under reduced pressure, and the fraction was collected at 132-140 degrees C (2kPa) to obtain the product 2-bromohexanoic acid with a yield of 83-89%. |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |