Introduction：Basic information about 2,3-Difluorobenzyl bromide CAS 113211-94-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,3-Difluorobenzyl bromide Basic information
| Product Name: | 2,3-Difluorobenzyl bromide |
| Synonyms: | TIMTEC-BB SBB006681;ALPHA-BROMO-2,3-DIFLUOROTOLUENE;1-(BROMOMETHYL)-2,3-DIFLUORO-BENZENE;2,3-DIFLUOROBENZYL BROMIDE;Benzene, 1-(bromomethyl)-2,3-difluoro-;à-bromo-2,3-difluorotoluene;α-bromo-2,3-difluorotoluene;2,3-Difluorobenzyl bromide 98% |
| CAS: | 113211-94-2 |
| MF: | C7H5BrF2 |
| MW: | 207.02 |
| EINECS: | |
| Product Categories: | Miscellaneous;Benzenes;Fluoro-contained benzyl bromide series;Aromatic compound |
| Mol File: | 113211-94-2.mol |
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2,3-Difluorobenzyl bromide Chemical Properties
| Boiling point | 190.5±25.0 °C(Predicted) |
| density | 1.628 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.528(lit.) |
| Fp | 194 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | clear liquid |
| color | Colorless to Light yellow |
| Specific Gravity | 1.628 |
| Sensitive | Lachrymatory |
| BRN | 7089244 |
| InChI | 1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2 |
| InChIKey | FTBSGSZZESQDBM-UHFFFAOYSA-N |
| SMILES | Fc1cccc(CBr)c1F |
| CAS DataBase Reference | 113211-94-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,3-Difluorobenzyl bromide(113211-94-2) |
Safety Information
| Hazard Codes | C,Xi |
| Risk Statements | 34-36/37/38 |
| Safety Statements | 26-36/37/39-45-25-36/37 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| F | 10-19-21 |
| Hazard Note | Corrosive/Lachrymatory |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29049090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
2,3-Difluorobenzyl bromide Usage And Synthesis
| Chemical Properties | clear colorless to light yellow liquid |
| Uses | 2,3-Difluorobenzyl bromide was used in the synthesis of chemokine antagonists. |
| Synthesis | 75853-18-8 113211-94-2 Step 2 (MW-S2): phosphorus tribromide (6.7 mL, 69.44 mmol) was added dropwise to a solution of diethyl ether (250 mL) of 2,3-difluorobenzyl alcohol (20 g, 138.88 mmol) at -10 °C. The reaction mixture was stirred at -10 °C for 1 hour. Upon completion of the reaction, the reaction was quenched with saturated sodium bicarbonate solution. The organic layer was separated and the aqueous layer was extracted with diethyl ether (2 x 100 mL). The combined organic layers were washed sequentially with water (100 mL), brine (100 mL), dried with anhydrous sodium sulfate, filtered and concentrated in vacuum to give 20 g of 2,3-difluorobenzyl bromide (MW-52) as a light brown liquid, which can be used in the next reaction without further purification. |
| References | [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 5, p. 1005 - 1009
[2] Patent: WO2014/140279, 2014, A1. Location in patent: Page/Page column 88; 170 |
2,3-Difluorobenzyl bromide Preparation Products And Raw materials
| Raw materials | 2,3-Difluorobenzyl alcohol-->Phosphorus tribromide-->Diethyl ether |
| Preparation Products | (S)-2-AMINO-3-(2,3-DIFLUORO-PHENYL)-PROPIONIC ACID |
