99512-64-8|6-Bromo-1,2-dimethyl-1H-benzo[d]imidazole| Ambeed

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CAS No. :	99512-64-8
Formula :	C₉H₉BrN₂
M.W :	225.09
SMILES Code :	CC1=NC2=CC=C(Br)C=C2N1C
MDL No. :	MFCD16250431

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H320-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
47%		Intermediate XI6-Bromo-1,2-dimethyl-1H-benzoimidazole A solution of 4-bromo-2-methylamino-aniline (1.10 g) in acetic acid (15 mL) was stirred at 130 C. for 2 h. After cooling to ambient temperature, the solution was concentrated under reduced pressure and the residue was taken up in ethyl acetate. The resulting solution was washed with 10% aqueous K2CO3 solution and brine and dried (MgSO4). The solvent was removed and the remainder was purified by chromatography on silica gel (CH2Cl2/MeOH/NH4OH 99:1:0.1->9:1:0.1) to give the title compound as a solid.Yield: 0.58 g (47% of theory); Mass spectrum (ESI+): m/z=225/227 (Br) [M+H]+.
	for 2h;Heating / reflux;	Part C:A solution of compound 230 (2.50 g, 12.4 mmol) in the corresponding acid (100 ml_) for preparing the compounds in Table 17 was stirred at reflux for 2 hours, at which time LC-MS analysis indicated that the reaction was complete. The reaction mixture was concentrated under vacuum. Purification by column chromatography (SiO2, 5% MeOH / DCM) afforded compounds of general formula 231 as a solid
1.6 g	at 118℃; for 3h;	j00421j A solution of compound B-74 (1.8 g, 9.0 mmol) in acetic acid (27 mL) was stirred at 118 C for 3 hours, then diluted with water (20 mL) and extracted with ethyl acetate (3 x 60 mL). The combined organic layers were concentrated and purified by silica gel chromatography [petroleum ether: ethyl acetate = 1:0 to 3:11 to give compound B-75 (1.6 g, 77 % yield) as a red solid. LCMS(B): tR=0.291 mm., (ES) mlz (M+H)=225.0.?H-NMR (CD3C1, 400 MHz): 7.54 (d, J=8.4 Hz, 1H), 7.44 (d, J1.2 Hz, 1H), 7.33 (dd, J1=1.6 Hz, J2=2.0 Hz, 1H), 3.71 (s, 3H), 2.60 (s, 3H).

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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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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 99512-64-8

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CAS No.: 99512-64-8

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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