| Identification | More | [Name]
5-BROMO-2-FLUOROCINNAMIC ACID | [CAS]
202865-71-2 | [Synonyms]
(2E)-3-(5-BROMO-2-FLUOROPHENYL)-2-PROPENOIC ACID
3-(5-BROMO-2-FLUOROPHENYL)-2-PROPENOIC ACID
3-(5-BROMO-2-FLUORO-PHENYL)-ACRYLIC ACID
5-BROMO-2-FLUOROCINNAMIC ACID
RARECHEM BK HW 0189
TIMTEC-BB SBB006748
5-Bromo-2-fluorocinnamic acid 98%
5-Bromo-2-fluorocinnamicacid98% | [Molecular Formula]
C9H6BrFO2 | [MDL Number]
MFCD00143427 | [Molecular Weight]
245.05 | [MOL File]
202865-71-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
195-199 °C | [Boiling point ]
336.0±32.0 °C(Predicted) | [density ]
1.6228 (rough estimate) | [refractive index ]
1.4240 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
4.14±0.10(Predicted) | [CAS DataBase Reference]
202865-71-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163900 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Synthesis]
A Knoevenagel condensation reaction catalyzed by piperidine (0.5 mL, 4.9 mmol) in pyridine (11.4 mL) was carried out with 5-bromo-2-fluorobenzaldehyde (5.0 g, 24.6 mmol) and malonic acid (5.6 g, 53.7 mmol). The reaction mixture was stirred at 100 °C for 3 h. After completion of the reaction, the solvent was removed by concentration under reduced pressure. Distilled water was added to the concentrated mixture and the precipitate was collected by filtration. The resulting crude product was purified by recrystallization with ethanol to give the final 5-bromo-2-fluorocinnamic acid (1.3 g, white solid). The structure of the product was confirmed by 1H NMR (400 MHz, CD3OD): δ 7.89 (d, 1H), 7.74-7.70 (m, 2H), 7.15 (t, 1H), 6.62 (d, 1H). | [References]
[1] Patent: US2015/291563, 2015, A1. Location in patent: Paragraph 0163; 0164 |
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