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Home > Encyclopedia > 1,3-Dichloro-2-methoxy-5-nitrobenzene

1,3-Dichloro-2-methoxy-5-nitrobenzene

1,3-Dichloro-2-methoxy-5-nitrobenzene structure

1,3-Dichloro-2-methoxy-5-nitrobenzene 

structure
  • CAS No:

    17742-69-7

  • Formula:

    C7H5Cl2NO3

  • Chemical Name:

    1,3-Dichloro-2-methoxy-5-nitrobenzene

  • Synonyms:

    Benzene,1,3-dichloro-2-methoxy-5-nitro-;Anisole,2,6-dichloro-4-nitro-;1,3-Dichloro-2-methoxy-5-nitrobenzene;3,5-Dichloro-4-methoxynitrobenzene;2,6-Dichloro-4-nitroanisole;NSC 212118

Description

slightly beige crystals

1,3-Dichloro-2-methoxy-5-nitrobenzene Basic Attributes

222.03

222.03

403-350-6

212118

29049095

Characteristics

55

3.2

light brown

1.5223 (rough estimate)

97-98 °C

305.6±37.0 °C(Predicted)

160 °C

1.6140 (estimate)

0.00147mmHg at 25°C

Safety Information

III

IRRITANT

2811

51/53-25

61-45-36/37

N-T,T,N

Toxic

P264, P270, P273, P301+P310, P321, P330, P391, P405, P501

H301

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Not Classified

Drug Information

2,6-dichloro-4-nitroanisole

1,3-Dichloro-2-methoxy-5-nitrobenzene Use and Manufacturing

To a stirred solution of 2, 6-dichloro-4- nitrophenol (22) (6.0 g, 28.84 mmoles) in anhydrous DMF (60 mL) was added anhydrousKCO (15.9 g, 115.36 mmoles) and methyl iodide (23) (8.18 g, 57.69 mmoles) at 0°. The reaction mixture was heated at 60° for 6 hr. The resulting mixture was cooled to rt and poured into ice-water. The resulting solid was collected and dried in vacuo to give the cmde product. This was purified by column chromatography, eluting with Pet. Ether:EtOAc (85:15) to give 2.5 g (39.0percent yield) of pure product as an off-white solid. ‘HNMR (400 MHz, CDC13) ö 8.22 (s, 2H), 4.01 (s, 3H).To a stirred solution of 2, 6-dichloro-4- nitrophenol (22) (6.0 g, 28.84 mmoles) in anhydrous DMF (60 mL) was added anhydrousKCO (15.9 g, 115.36 mmoles) and methyl iodide (23) (8.18 g, 57.69 mmoles) at 0°. The reaction mixture was heated at 60° for 6 hr. The resulting mixture was cooled to rt and poured into ice-water. The resulting solid was collected and dried in vacuo to give the cmde product. This was purified by column chromatography, eluting with Pet. Ether:EtOAc (85:15) to give 2.5 g (39.0percent yield) of pure product as an off-white solid. ‘HNMR (400 MHz, CDC13) ö 8.22 (s, 2H), 4.01 (s, 3H).To a stirred solution of 2, 6-dichloro-4- nitrophenol (22) (6.0 g, 28.84 mmoles) in anhydrous DMF (60 mL) was added anhydrousKCO (15.9 g, 115.36 mmoles) and methyl iodide (23) (8.18 g, 57.69 mmoles) at 0. The reaction mixture was heated at 60 for 6 hr. The resulting mixture was cooled to rt and poured into ice-water. The resulting solid was collected and dried in vacuo to give the cmde product. This was purified by column chromatography, eluting with Pet. Ether:EtOAc (85:15) to give 2.5 g (39.0% yield) of pure product as an off-white solid. 'HNMR (400 MHz, CDC13) oe 8.22 (s, 2H), 4.01 (s, 3H).

Computed Properties

Molecular Weight:222.02
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:220.9646484
Monoisotopic Mass:220.9646484
Topological Polar Surface Area:55
Heavy Atom Count:13
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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