170737-92-5|2-(4-Chloro-2-methoxyphenyl)acetonitrile| Ambeed

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CAS No. :	170737-92-5
Formula :	C₉H₈ClNO
M.W :	181.62
SMILES Code :	N#CCC1=CC=C(Cl)C=C1OC
MDL No. :	MFCD09924030

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; In ethylene glycol;	Example (XVIII-2) (4-Chloro-2-methoxyphenyl)acetic acid 141 g of 4-chloro-2-methoxyphenylacetonitrile are reacted with 83.2 g of potassium hydroxide in 280 ml of ethylene glycol. 148 g of solid are obtained (m.p.: 100 C.). 1H NMR (CDCl3): 8.40-8.90 (m br, 1H); 7.10 (d, 1H); 6.86 (dd, 1H); 6.89 (d, 1H); 3.80 (s, 3H); 3.60 (s, 2H).
	With potassium hydroxide; water; for 24h;Heating / reflux;	A solution of 4-chloro-2-methoxy-benzyl alcohol (4g) and thionyl chloride (10ml) indichloromethane (30ml) was refluxed for Ih. The solution was concentrated under reducedpressure and the residue partitioned between diethyl ether and water. The organics were driedand evaporated under reduced pressure. This residue and sodium cyanide (Ig) in DMF (20ml)was stirred at room temperature for 3h. The mixture was partitioned between diethyl ether andwater, the organics were dried and evaporated under reduced pressure. A solution ofpotassium hydroxide was added to the residue and the mixture heated under reflux for 24h.The mixture was partitioned between diethyl ether and water, the aqueous layer was acidifiedwith 2M hydrochloric acid and extracted with ethyl acetate. The organic layer was dried andevaporated under reduced pressure. The residue was triturated with diethyl ether andisohexane. Yield 1.4g.1HNMRCDC13: 5 7.11 (1H, d), 6.92 (1H, d), 6.87 (1H, s), 3.82 (3H, s), 3.62 (2H, s)

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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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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
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Health hazards
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H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H361d	Suspected of damaging the unborn child
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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.: 170737-92-5

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CAS No.: 170737-92-5

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