6036-46-0|2-Ethoxy-6-nitroaniline| Ambeed

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CAS No. :	6036-46-0
Formula :	C₈H₁₀N₂O₃
M.W :	182.18
SMILES Code :	NC1=C([N+]([O-])=O)C=CC=C1OCC
MDL No. :	MFCD19105141
InChI Key :	WBAPTPZBKPFPPB-UHFFFAOYSA-N
Pubchem ID :	66838836

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;palladium on activated charcoal; In methanol;	solution of 1.64 g (9 mmol) of 2-ethoxy-6-nitroaniline in methanol was hydrogenated over palladium on carbon. After filtration through celite, the solution was acidified with cone. HCl and evaporated to dryness. The residue was combined with 1.73 g (18 mmol) of difluoroacetic acid in 10 mL 4 M HCl and the solution was heated under reflux for 4 hrs. After dilution with water, decolorization with charcoal, and filtration through celite, the cooled solution was made basic with cone, aqueous ammonia to give 1.29 g (68 % yield) of 2-(difluoromethyl)-4-ethoxy-lH-benzimidazole: mp (MeOη/η2O) 185-187 0C; 1H NMR (DMSO-^5) (tautomeric mixture) δ 13.30 (m, exchangeable with D2O, IH), 7.20 (t, 7HF = 53.3 Hz, IH), 7.19 (m, 2 H), 6.78 (br d, J = 7.5 Hz, IH), 4.24 (q, J = 7.0 Hz, 2H), 1.41 (t, J = 7.0 Hz, 3H); MS (APCI+) 213.3 (MH+); Anal. Calcd. for C0H10F2N2O: C, 56.6; H, 4.75; N, 13.2; Found: C, 56.9; H, 4.8; N, 13.4%.
3.26 g	With palladium 10% on activated carbon; hydrogen; In methanol; at 20.0℃;	To a stirred solution of 92b (3.560 g, 19.54 mmol) in MeOH was added 10% Pd-C(0.775 g). After stirring at room temperature overnight under a hydrogen atmosphere, thereaction mixture was filtered through a pad of Celite. The filtrate was concentrated invacuo to give the intermediate diamine (3.260 g, 24.42 mmol), which was then dissolvedin TFA (75 mL) initially at 0 C. The resulting mixture was subsequently stirred overnightunder reflux conditions before concentration to a residue in vacuo. The residue wasdissolved in EtOAc and the resulting solution was poured into saturated NaHCO3 aq. Theorganic layer was separated, dried over Na2SO4, and concentrated in vacuo to give 93b(2.300 g, 52% yield).

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P222	Do not allow contact with air.
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P230	Keep wetted
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P263	Avoid contact during pregnancy/while nursing.
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Response
Code	Phrase
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P321
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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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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
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.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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
P402 + P404	Store in a dry place. Store in a closed container.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
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P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 6036-46-0

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CAS No.: 6036-46-0

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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