| Identification | More | [Name]
2-Bromo-5-fluorobenzyl alcohol | [CAS]
202865-66-5 | [Synonyms]
2-BROMO-5-FLUOROBENZYL ALCOHOL
BUTTPARK 87\01-69
RARECHEM AL BD 0749
2-Ethoxy-4-fluorobromobenzene
(2-Bromo-5-fluorophenyl)methanol | [EINECS(EC#)]
606-492-9 | [Molecular Formula]
C7H6BrFO | [MDL Number]
MFCD00142876 | [Molecular Weight]
205.02 | [MOL File]
202865-66-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
91-94 °C | [Boiling point ]
252.5±25.0 °C(Predicted) | [density ]
1.658±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
13.67±0.10(Predicted) | [color ]
Yellow | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C7H6BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2 | [InChIKey]
HXGZPMHPSBJMKB-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC(F)=CC=C1Br | [CAS DataBase Reference]
202865-66-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R36:Irritating to the eyes.
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HS Code ]
2906290090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
2-Bromo-5-fluorobenzyl alcohol is used as intermediates in pharmaceutical and organic synthesis. | [Synthesis]
General procedure for the synthesis of 2-bromo-5-fluorobenzyl alcohol from 2-bromo-5-fluorobenzaldehyde: To a solution of 2-bromo-5-fluorobenzaldehyde (75.0 g, 369 mmol) in ethanol (375 mL) was slowly added a solution of sodium borohydride (4.47 g, 118 mmol) in water (9 mL) at 0 °C. The reaction mixture was kept stirred at 0°C for 1 hour. Upon completion of the reaction, the mixture was treated with water and ethyl acetate and extracted with ethyl acetate. The combined organic extracts were washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 75.6 g of 2-bromo-5-fluorobenzyl alcohol (yield = 99.8%) as a colorless solid.1H NMR (CDCl3) δ 7.50-7.46 (1H, m), 7.29-7.25 (1H, m), 6.92-6.85 (1H, m), 4.72 (2H, s). | [References]
[1] Journal of Organic Chemistry, 2005, vol. 70, # 2, p. 756 - 759
[2] Patent: WO2007/19098, 2007, A2. Location in patent: Page/Page column 44
[3] Tetrahedron, 2007, vol. 63, # 38, p. 9401 - 9405
[4] Patent: CN108358961, 2018, A. Location in patent: Paragraph 0016; 0057; 0058-0060; 0062; 0069; 0071; 0078
[5] CrystEngComm, 2014, vol. 16, # 23, p. 4999 - 5011 |
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