1-Chloro-4-methoxy-2-nitrobenzene
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1-Chloro-4-methoxy-2-nitrobenzene
structure -
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CAS No:
10298-80-3
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Formula:
C7H6ClNO3
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Chemical Name:
1-Chloro-4-methoxy-2-nitrobenzene
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Synonyms:
Benzene,1-chloro-4-methoxy-2-nitro-;Anisole,4-chloro-3-nitro-;1-Chloro-4-methoxy-2-nitrobenzene;4-Chloro-3-nitroanisole;2-Nitro-4-methoxychlorobenzene;NSC 47339
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CAS No:
1-Chloro-4-methoxy-2-nitrobenzene Basic Attributes
187.58
187.58
640872
233-674-1
47339
DTXSID80145600
29093090
Characteristics
55
2.2
Light Cream Dry Crystalline Powder
1.4±0.1 g/cm3
52.5-53.5 °C
210 °C @ Press: 15 Torr
>230 °F
1.560
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00304mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
BZ8580000
Xi
Irritant
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Chloro-4-methoxy-2-nitrobenzene Use and Manufacturing
Silak reaction tube equipped with a magnetic stirrer was charged with 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2, 9-dimethyl-1, 10-o-phenanthroline, 39.4 mg of 2-nitro-4-methoxybenzoic acid and 17.5 mg of sodium chloride4 mL of dimethyl sulfoxide.The reaction was heated at 160 ° C for 24 hours in the presence of oxygen.After the reaction was completed, distilled water was added to quench the reaction, Extraction with ethyl acetate 3 times, each time 10mL, The combined organic phases are concentrated, 19.9 mg of 2-nitro-4-methoxychlorobenzene was obtained in a yield of 53percent.350g 20percent aqueous hydrochloric acid was added in 1000ml round bottom flask, 84g 4- amino-3-nitroanisole (material A), The following solution was added dropwise with stirring 0-5 degree celcius 81.6g of sodium nitrite, Completion of the dropwise addition, The reaction to the disappearance of starting material, Continue adding catalyst (PdCl2: CuCl: CoCl2 molar ratio of 0.2: 1: 0.2 in combination) 25g, After completion of the reaction, The reaction was stopped, Suction filtered and dried to give 91.8 g product, Yield 96percent, 98percent purity.In a reaction vesselInto the mass fraction of 80percentOf concentrated phosphoric acid solution, Water 100ml, 4-Amino-3-nitroanisole (2)0.25 mol, the stirring rate was controlled to 230 rpm, Lower the solutionTemperature to 9 ° C, slowSlow additionAsiaPotassium hydrogen sulfate 0.25mol dissolved in 100ml water is configured as a solution, Adding 55percent of the mass fraction of potassium bisulfite solution200 mL in a reaction vessel, The temperature of the control solution was 8 ° C, Reaction time lasted 50min, 0.30 mol of stannous bromide was dissolved in 130 ml of concentrated potassium chloride solution, The diazonium salt was rapidly added to the stannous bromide solution at a control solution temperature of 19 ° C and allowed to stand for 5 h. The temperature of the solution was gradually raised to 70 ° C until no gas evolved and was distilled through a steam distillation to an oil- , Acetone extraction, combined extract, followed by washing with sodium bicarbonate solution, potassium chloride solution washing, activated alumina dehydration, recovery of acetone, the yellow solid 4-chloro-3-nitroanisole 43.71g, yield 93percent.General procedure: Camphorsulfonic acid (1.5 mmol), tert-butyl nitrite (3.0 mmol), benzyltriethylammonium chloride (2.5 mmol), and a catalytic amount of copper (II) chloride (1 mol percent) were combined in an agate mortar-containing aniline (1.25 mmol) and the mixture was vigorously ground for 15–20 min, until the evolution of N
Used as medicine and dye intermediate
Computed Properties
Molecular Weight:187.58
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.0036207
Monoisotopic Mass:187.0036207
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Chloro-4-methoxy-2-nitrobenzene
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