6-Bromo-n-caproic acid
6-Bromohexanoic acid
CAS: 4224-70-8
Molecular Formula: C6H11BrO2
6-Bromo-n-caproic acid - Names and Identifiers
| Name | 6-Bromohexanoic acid |
| Synonyms | ISBO-007 6-bromohexanoate 6-BroMhexine acid 6-BroMhexanoic acid 6-Bromocaproic acid 6-bromo-hexanoicaci 6-bromo hexanoicacid ω-BroMohexanoic Αcid 6-Bromohexanoic acid 6-Bromo-n-caproic acid 6 - broMine caproic acid |
| CAS | 4224-70-8 |
| EINECS | 224-176-5 |
| InChI | InChI=1/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)/p-1 |
| InChIKey | NVRVNSHHLPQGCU-UHFFFAOYSA-N |
6-Bromo-n-caproic acid - Physico-chemical Properties
| Molecular Formula | C6H11BrO2 |
| Molar Mass | 195.05 |
| Density | 1.3996 (rough estimate) |
| Melting Point | 32-34 °C (lit.) |
| Boling Point | 165-170 °C/20 mmHg (lit.) |
| Flash Point | 154°F |
| Solubility | methanol: 0.1g/mL, clear, colorless |
| Vapor Presure | 0.00109mmHg at 25°C |
| Appearance | White Crystals |
| Color | White to light orange |
| BRN | 1749740 |
| pKa | 4.72±0.10(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Sensitive to heat and air |
| Refractive Index | 1.4790 (estimate) |
| MDL | MFCD00004422 |
6-Bromo-n-caproic acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - 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.) S28A - |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Note | Corrosive/Harmful |
| Hazard Class | 8 |
| Packing Group | III |
6-Bromo-n-caproic 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) |
| application | 6-bromocaproic acid is a very important pharmaceutical intermediate, which is widely used in the preparation of medicine and veterinary drugs. 6-Bromocaproic acid can be obtained from ε-caprolactone through ring opening with hydrogen bromide. |
| Prepare | 500 ml of three-neck bottle, install a thermometer, stirrer, add the raw materials ε-caprolactone (1 mol, 114g), n-hexane (200 ml), and then start stirring. Dry hydrogen bromide gas (1.1 mol, 89g) was introduced and the reaction temperature was controlled to be 20 ℃ ~ 30 ℃. After the hydrogen bromide gas is introduced, it is stirred at this temperature for another 6 hours. Then cool to 0~10 ℃, stir for 3 hours, and a large number of crystals are formed. Filtration to obtain light yellow 6-bromocaproic acid solid, weight 183 grams, 95% yield, 99.2% purity (gas phase color analysis). |
Last Update：2024-04-09 15:16:50
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