Butyric acid, alpha-bromo-
2-Bromobutyric acid
CAS: 80-58-0
Molecular Formula: C4H7BrO2
Butyric acid, alpha-bromo- - Names and Identifiers
Butyric acid, alpha-bromo- - Physico-chemical Properties
| Molecular Formula | C4H7BrO2 |
| Molar Mass | 167 |
| Density | 1.567 g/mL at 25 °C (lit.) |
| Melting Point | -4 °C (lit.) |
| Boling Point | 99-103 °C/10 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | 66 g/L (20 ºC) |
| Solubility | water: soluble15 part |
| Vapor Presure | 0.0533mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear yellow |
| Merck | 14,1413 |
| BRN | 1720950 |
| pKa | pK1: 2.939 (35°C) |
| Storage Condition | room temp |
| Refractive Index | n20/D 1.474(lit.) |
| Physical and Chemical Properties | Colorless clear or yellowish oily liquid. Melting Point -4 ℃, boiling point 181-182 ℃,(33.25kPa),127-128 ℃(3.33kPa),107 ℃(1.6kPa), relative density 1.5669(20/20 ℃). Soluble in alcohol and ether, soluble in 15 parts of water. Refractive index 1.4720. |
| Use | Used as pesticide, pharmaceutical intermediates |
Butyric acid, alpha-bromo- - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R38 - Irritating to the skin R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28A - S24 - Avoid contact with skin. S16 - Keep away from sources of ignition. S9 - Keep container in a well-ventilated place. S2 - Keep out of the reach of children. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3265 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29349990 |
| Hazard Class | 8 |
| Packing Group | II |
| Toxicity | LD50 orally in mice: 310 mg/kg (Morrison) |
Butyric acid, alpha-bromo- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2-bromobutyric acid is an organic bromine compound, it can be obtained by catalytic Reflux reaction of NBS and N-butyric acid in carbon tetrachloride by AIBN. Other methods using NBS as the brominating agent have also been reported, such as the reaction with trifluoroacetic acid as the solvent under the catalysis of sulfuric acid. It can be reacted with thiophenol in a solution of sodium hydroxide in ethanol to give sodium 2-phenylthiobutyrate. It reacts with oxalyl chloride to give 2-bromobutyryl chloride. |
| Use | organic synthesis intermediates. used in organic synthesis, also used as a reagent intermediates used as pesticides, pharmaceutical intermediates |
| production method | is derived from the bromination of butyric acid. Put N-butyric acid and phosphorus trichloride into enamel jar, slowly drip bromine when heated to 100 ℃, the temperature is controlled at 100-120 ℃, keep warm for 8h after adding, remove hydrobromic acid for 18h, and then wash with water, the finished product was obtained by distillation. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-mouse LD50: 310 mg/kg |
| flammability hazard characteristics | toxic bromide fumes from thermal decomposition |
| storage and transportation characteristics | warehouse ventilation, drying, low temperature |
| fire extinguishing agent | water, carbon dioxide, sand, dry powder, foam |
Last Update：2024-04-09 21:04:16
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