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Home > Encyclopedia > 1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE

1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE

1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE structure

1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE 

structure
  • CAS No:

    1126367-34-7

  • Formula:

    C7H5BrClNO2

  • Chemical Name:

    1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE

  • Synonyms:

    1-Bromo-2-chloro-4-methyl-5-nitrobenzene;1-Bromo-2-chloro-4-methyl-5-nitro-benzene;SCHEMBL3646028;CTK5I2343;DTXSID90674299;4-Bromo-5-chloro-2-nitrotoluene;KS-000005AU;2200AA;ANW-68066;ZINC35635948

1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE Basic Attributes

250.48

248.91900

DTXSID90674299

2904909090

Characteristics

45.8

3.4

1.719±0.06 g/cm3(Predicted)

303.6±37.0 °C(Predicted)

1-BROMO-2-CHLORO-4-METHYL-5-NITRO-BENZENE Use and Manufacturing

Con. HNO3 (15 mL) was added to the solution of 1-bromo-2-chloro-4-methylbenzene (20 g, 100 mmol) in con.H2S04 (65 mL) at -20 °C slowly. The reaction was stirred for 5 mins andthen poured into ice-water (500 g). Then, the mixture was filtered and the solid was washed by water and dried to give the crude product as a yellow solid. (23 g, 95percent yield).D533 1H NMR (400 MHz, CDCI3) 58.27 (s, 1H), 7.46 (s, IH), 2.56 (s, 3H).In a 50-mL round-bottomed flask was placed l-bromo-2-chloro-4-methylbenzene (2 g, 9.7 mmol) and concentrated H

Computed Properties

Molecular Weight:250.48
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Exact Mass:248.91922
Monoisotopic Mass:248.91922
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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