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Home > Encyclopedia > 1-Bromo-4-chloro-2-nitrobenzene

1-Bromo-4-chloro-2-nitrobenzene

1-Bromo-4-chloro-2-nitrobenzene structure

1-Bromo-4-chloro-2-nitrobenzene 

structure
  • CAS No:

    41513-04-6

  • Formula:

    C6H3BrClNO2

  • Chemical Name:

    1-Bromo-4-chloro-2-nitrobenzene

  • Synonyms:

    Benzene,1-bromo-4-chloro-2-nitro-;1-Bromo-4-chloro-2-nitrobenzene;4-Chloro-2-bromonitrobenzene;2-Bromo-5-chloronitrobenzene;4-Bromo-3-nitrochlorobenzene;1-Bromo-2-nitro-4-chlorobenzene

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

white to light yellow crystal powder

1-Bromo-4-chloro-2-nitrobenzene Basic Attributes

236.45

236.45

1950424

255-421-4

DTXSID00194397

29049090

Characteristics

45.8

3

white to light yellow crystal powder

2.048 g/cm3 @ Temp: 16 °C

64.8 °C

242.5°C at 760 mmHg

100.5±21.8 °C

1.619

Safety Information

NONH for all modes of transport

3

36/37/38-20/21/22

26-36-36/37/39-22

Xi,Xn

Irritant

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-Bromo-4-chloro-2-nitrobenzene Use and Manufacturing

Methods of Manufacturing

General procedure: A 25 mL round bottom flask equipped with Dimroth condenser (chilled to 10 °C) was charged with nitroarenecarboxylic acid ArC0A 2 L round bottom flask was charged with 188 g (0.84 mol) of copper (II) bromide, 900 mL of anhydrous acetonitrile, and 121 g (0.70 mol) of 2-nitro-4-chloroaniline. After stirring for 15 minutes, 100 mL (0.84 mol) of tert-butylnitrite was carefully added in 5 portions. The reaction flask was immersed in a water bath maintained at 6O

Uses

2-bromo-4-methylpropiophenone employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field. Specifically, this chemical can act as the intermediate in the synthesis of 4-methyl methcathinone HCl (mephedrone HCl or 4-MMC HCl), which is used as the sample for development and validation of a presumptive color spot test method for the detection of piperazine analogues in seizing illicit materials.

Computed Properties

Molecular Weight:236.45
XLogP3:3
Hydrogen Bond Acceptor Count:2
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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