P-FLUOROBENZYL BROMIDE
4-fluorobenzyl bromide
CAS: 459-46-1
Molecular Formula: C7H6BrF
P-FLUOROBENZYL BROMIDE - Names and Identifiers
| Name | 4-fluorobenzyl bromide |
| Synonyms | Of fluoride broMide 4-Fluorobenzyl bromi 4-fluorobenzyl bromide P-FLUOROBENZYL BROMIDE α-BroMo-p-fluorotoluene α-Bromo-4-fluorotoluene BroMobenzene of fluoride alpha-Bromo-4-fluorotoluene 4-fluoro(bromomethyl)benzene 1-(bromomethyl)-2-methylbenzene 1-(Bromomethyl)-4-fluorobenzene 4-Fluoro-1-(bromomethyl)benzene 1-(Bromomethyl)-4-fluorobenzene, alpha-Bromo-4-fluorotoluene |
| CAS | 459-46-1 |
| EINECS | 207-291-5 |
| InChI | InChI=1/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3 |
| InChIKey | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
P-FLUOROBENZYL BROMIDE - Physico-chemical Properties
| Molecular Formula | C7H6BrF |
| Molar Mass | 189.02 |
| Density | 1.517g/mLat 25°C(lit.) |
| Boling Point | 85°C15mm Hg(lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.143mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.517 |
| Color | Clear colorless to yellow |
| BRN | 636507 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.547(lit.) |
| Physical and Chemical Properties | Light yellow transparent liquid |
P-FLUOROBENZYL BROMIDE - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R36 - Irritating to the eyes |
| 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 | 29039990 |
| Hazard Note | Corrosive/Lachrymatory |
| Hazard Class | 8 |
| Packing Group | III |
P-FLUOROBENZYL BROMIDE - 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 | 4-fluorobenzyl bromide is mainly used as an intermediate in pharmaceutical and chemical synthesis, such as the preparation of β-carboline derivatives. |
| prepare | add 100 g p-toluic acid (0.735 mo1) and 71 g urea (1.18 mo1) evenly mixed into a 250 m L two-mouth bottle equipped with thermometer and air condenser tube. Heating with a temperature regulating electric heating sleeve, the reaction temperature in the early stage is 160 ~ l80 ℃ for 7 h, then the temperature is slowly increased until the reaction temperature in the later stage is 245~255 ℃ (about 1 h), and the reaction temperature is kept for 4 h. After the reaction is over, the product is evaporated with strong heat. The remaining residue in the reaction bottle does not need to be discharged, and the above reaction can be repeated next time. The distillate is added with an appropriate amount of benzene, neutralized with 15% NaOH solution to pH = 10, and slightly heated to dissolve p-toluic acid in it. The insoluble matter is filtered out and recovered, and weighed about 6.1g after drying. The filtrate is separated from the organic phase, the aqueous phase is extracted twice with benzene, the organic phase is combined, and the water is washed twice and dried with anhydrous sodium sulfate. Benzene is distilled under normal pressure, then 78.6g of fraction with boiling range of 108~110 ℃/3mm Hg is collected by vacuum distillation, and the column is passed through: stationary phase: 100-200 mesh silica gel; Mobile phase: petroleum ether: ethyl acetate is 25/1. The colorless liquid 4-fluorobenzyl bromide was obtained, weighed as 0.237 g, and the yield was 62.7%. |
Last Update：2024-04-09 21:54:55
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