423165-35-9|1-Bromo-2-isopropoxy-4-nitrobenzene| Ambeed

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CAS No. :	423165-35-9
Formula :	C₉H₁₀BrNO₃
M.W :	260.08
SMILES Code :	O=[N+](C1=CC=C(Br)C(OC(C)C)=C1)[O-]
MDL No. :	MFCD27950680

Yield	Reaction Conditions	Operation in experiment
93%	With potassium carbonate; In acetonitrile; for 2h;Reflux;	To a solution of <strong>[52427-05-1]2-bromo-5-nitro-phenol</strong> (2 g, 9.174 mmol) in acetonitrile (10.0 mL) was added 2-iodopropane (approximately 2.495 g, 14.68 mmol), and potassium carbonate (approximately 2.536 g, 18.35 mmol). The resulting mixture was heated to reflux for approximately 2 hours. The reaction mixture was diluted with dichloromethane. After filtration, the filtrate was concentrated under reduced pressure to afford 1-bromo-2-isopropoxy-4-nitro-benzene (2.35 g, 93percent). 1H NMR (300 MHz, CDCl3) delta 7.75 (d, J = 2.6 Hz, 1H), 7.73 - 7.69 (m, 2H), 4.72 (dt, J = 12.1, 6.1 Hz, 1H), 1.46 (d, J = 6.1 Hz, 6H) ppm. ESI-MS m/z calc. 258.9844, found 260.23 (M+l)+; Retention time: 0.98 minutes.
	With potassium carbonate; In acetonitrile; for 2h;Reflux;	2-bromo-5-nitrophenyl 1-methylethyl etherTo a solution of <strong>[52427-05-1]2-bromo-5-nitrophenol</strong> (8.8 g, 42.55 mmol) in acetonitrile (100 mL), was added potassium carbonate (1 1 .19 g, 81.1 mmol) followed by isopropyl iodide (10.34 g, 64.85 mmol). The resulting mixture was heated to reflux for 2 h. The mixture was cooled to room temperature and the solvent was removed under reduced pressure. The residue was dissolved in ethyl acetate, washed with water, dried over Na2S04, filtered and concentrated in vacuo to afford 2-bromo-5-nitrophenyl 1-methylethyl ether (10.5 g) as a yellow oil. This material was used in the next step without further purification. MS (m/z) 259.9 (M+H+)

Precautionary Statements-General
Code	Phrase
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Prevention
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P222	Do not allow contact with air.
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Response
Code	Phrase
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P321
P322
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
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P370 + P378	In case of fire:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
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P422
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Disposal
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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
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H223	Flammable aerosol
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H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
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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
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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
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H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
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H332	Harmful if inhaled
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H336	May cause drowsiness or dizziness
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H341	Suspected of causing genetic defects
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H351	Suspected of causing cancer
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H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 423165-35-9

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CAS No.: 423165-35-9

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