2624-66-0|1,4-Dichloro-2-fluoro-5-nitrobenzene| Ambeed

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CAS No. :	2624-66-0
Formula :	C₆H₂Cl₂FNO₂
M.W :	209.99
SMILES Code :	O=[N+](C1=C(Cl)C=C(F)C(Cl)=C1)[O-]
MDL No. :	MFCD25961694

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Yield	Reaction Conditions	Operation in experiment
98%	With sulfuric acid; nitric acid; at 0 - 20℃; for 4.16667h;	To a solution of 1,4- dichloro-2-fluorobenzene (2.227 g, 13.5 mmol) in sulfuric acid (3.59 mL, 67.3 mmol) at 0C was added nitric acid (0.612 mL, 13.50 mmol) dropwise over 10 min. The reaction was stirred at rt for 4 h. The mixture was poured into ice water, extracted with EtOAc (150 mL). The extract was washed with water, saturated NaHCO3 solution and brine sequentially, dried over MgSO4, filtered and concentrated under vacuum. The residue was purified with a silica gel flash column, eluting with 0-20% EtOAc in hexane to afford 1,4- dichloro-2-fluoro-5-nitrobenzene (2.79 g, 13.29 mmol, 98 % yield) as a tan solid.1H NMR (CDCl3) d 7.40 (1H, d, J = 7.8 Hz), 8.09 (IH, d, J = 6.9 Hz).
1.3 g	With nitric acid; trifluoroacetic acid; at 20℃; for 3h;	(Step 1) Synthesis of 1,4-dichloro-2-fluoro-5-nitrobenzene (0422) According to (Step 1) of Example 19, <strong>[348-59-4]1,4-dichloro-2-fluorobenzene</strong> (1.00 g) was dissolved instead of 1-chloro-2-fluoro-4-methylbenzene in TFA (10 mL). To the solution, fuming nitric acid (5.0 mL) was added dropwise. The mixture was stirred at room temperature for 3 hours, and then, the solution was added to an aqueous sodium bicarbonate solution. The precipitated solid was collected by filtration and dried to obtain 1.30 g of the title compound as a white solid.
1.3 g	With nitric acid; trifluoroacetic acid; at 20℃; for 0.05h;	General procedure: 1-hloro-2-fluoro-4-methylbenzene (1.00 g) was dissolved in TFA (10 mL). The solution was cooled to 0C, and then, fuming nitric acid (5.0 mL) was added dropwise thereto. The mixture was stirred at 0C for 30 minutes, and then, the solution was added to an aqueous sodium bicarbonate solution and neutralized, followed by extraction with chloroform. The extract was dried over anhydrous sodium sulfate, and the solvent was distilled off under reduced pressure. The obtained residue was purified by silica gel chromatography (hexane/ethyl acetate) to obtain 1.31 g of the title compound as a white solid.

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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CAS No.: 2624-66-0

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CAS No.: 2624-66-0

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed