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diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate

2-Bromo-4-fluorophenol

CAS: 496-69-5

Molecular Formula: C6H4BrFO

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diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate - Names and Identifiers

Name 2-Bromo-4-fluorophenol
Synonyms 2-BROMO-4-FLUOROPHENOL
2-Bromo-4-fluorophenol
2-bromo-4-fluoro phenol
Phenol,2-bromo-4-fluoro-
2 - broMine phenol - 4 - fluorine
diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate
Diethyl ({[2-(trifluoromethoxy)phenyl]amino}methylene)malonate
diethyl ({[2-(trifluoromethoxy)phenyl]amino}methylidene)propanedioate
Propanedioic acid, 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]-, diethyl ester
CAS 496-69-5
InChI InChI=1/C15H16F3NO5/c1-3-22-13(20)10(14(21)23-4-2)9-19-11-7-5-6-8-12(11)24-15(16,17)18/h5-9,19H,3-4H2,1-2H3

diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate - Physico-chemical Properties

Molecular FormulaC6H4BrFO
Molar Mass191
Density1.744
Melting Point43-45 °C (lit.)
Boling Point89 °C/1 mmHg (lit.)
Flash Point185°F
Vapor Presure7.12E-05mmHg at 25°C
AppearanceCrystalline Solid
ColorLight brown to brown
BRN2355593
pKa8.44±0.18(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Index1.554
Physical and Chemical PropertiesLight yellow solid.

diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate - Risk and Safety

Risk CodesR22 - Harmful if swallowed
R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - 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.
UN IDs3276
WGK Germany3
HS Code29071990
Hazard NoteIrritant
Packing GroupIII

diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate - Reference Information

introduction 2-bromo-4-fluorophenol is an organic intermediate, which can be obtained by bromination of p-fluorophenol or demethoxy from 2-bromo-4-fluoroanisole. 2-Bromo-4-fluorophenol can be used to prepare 3-amino-4-fluorophenol. 3-amino-4-fluorophenol is a commonly used organic chemical intermediate, which is commonly used to synthesize liquid crystal compounds, pharmaceutical compounds and intermediates of pesticide compounds.
200g(1.785mol) of p-fluorophenol and 300ml of dichloroethane are added into the reaction bottle of 2L, after mixing, 300g(1.875mol) of bromine and 150ml of dichloroethane are added dropwise at 5 ℃ ~ 10 ℃, and the temperature is kept for reaction for half an hour after dropping. Add 33g(0.26mol) of sodium sulfite and 200ml of water mixed solution, stir for 30min, let stand and layer, take the organic layer, adjust to neutral with mixed alkali solution (10% NaOH/20% NaHCO3), dry with anhydrous magnesium sulfate, and evaporate with a rotary evaporator to remove the solvent to obtain 343g (1.6888 mol) of yellow liquid 2-bromine -4-fluorophenol. Molar yield: 95%, the purity determined by gas chromatography is 94%. Boiling point 145 ℃/20mmHg.
chemical properties light yellow solid.
Last Update:2024-04-09 01:59:58
diethyl 2-{[2-(trifluoromethoxy)anilino]methylidene}malonate
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View History
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