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CAS No. :	6419-36-9
Formula :	C₇H₈ClNO₂
M.W :	173.60
SMILES Code :	O=C(O)CC1=CC=CN=C1.[H]Cl
Synonyms :	3-Pyridylacetic acid hydrochloride
MDL No. :	MFCD00012819
InChI Key :	XVCCOEWNFXXUEV-UHFFFAOYSA-N
Pubchem ID :	2723724

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
98%	With sulfuric acid; for 1h;Reflux;	To a solution of 2-(pyri din-3 -yl)acetic acid hydrochloride (17.3 g, 100 mmol, 1 equiv) in MeOH (80 mL) was added concentrated H2SO4 (6.4 mL, 120 mmol, 1.2 equiv) dropwise at room temperature and the resulting mixture was refluxed for 1 hour. The reaction mixture was poured into saturated NaHC03 solution and extracted with DCM (3 *100 mL). The combined organic phase were washed with brine (30 mL), dried over anhydrous Na2S04, filtered and concentrated in vacuo to afford the title compound methyl 2-(pyridin-3-yl)acetate as yellow solid (15 g, 98% yield). LC-MS: m/z 152.1 (M+H)+
97%		In order to synthesize 3-pyridylethanethiol, 3-pyridylethanol as an intermediate therefor was synthesized by the following method. Into a 1-L flask to which a nitrogen gas introduction tube, thermometer, Dimroth condenser, and dropping funnel had been attached was introduced 25.12 g (0.145 mol) of 3-pyridylacetic acid monohydrochloride. Thereto was added 500 mL of anhydrous methanol. After the atmosphere in the flask was replaced with nitrogen, the contents were stirred at room temperature to dissolve the monohydrochloride. Thereto was added dropwise 31.12 g (0.248 mol) of thionyl chloride. Thereafter, the resultant mixture was heated and reacted for further 2.5 hours with refluxing. After the reaction, the reaction mixture was cooled to room temperature, and the methanol was distilled off under vacuum. The residue was neutralized with a saturated aqueous solution of sodium hydrogen carbonate. An extraction operation using 100 mL of ethyl acetate was conducted three times, and anhydrous sodium sulfate was added to the resultant organic phase to dry the phase. The anhydrous sodium sulfate was removed by decantation. Thereafter, the solvent was distilled off under vacuum. Thus, 21.29 g (0.141 mol) of methyl 3-pyridylacetate, which is the methanol ester of 3-pyridylacetic acid, was obtained (yield, 97%).

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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
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P230	Keep wetted
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P234	Keep only in original container.
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Code	Phrase
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P321
P322
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P378
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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.
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P370 + P378	In case of fire:
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Storage
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P401
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Disposal
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P501	Dispose of contents/container to ...
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CAS No.: 6419-36-9

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CAS No.: 6419-36-9

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Product Details of 3-Pyridylacetic acid HCl

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Application In Synthesis of 3-Pyridylacetic acid HCl

[ 6419-36-9 ] Synthesis Path-Downstream 1~3

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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