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

1-Bromo-2-chloro-4-methoxybenzene

1-Bromo-2-chloro-4-methoxybenzene structure

1-Bromo-2-chloro-4-methoxybenzene 

structure
  • CAS No:

    50638-46-5

  • Formula:

    C7H6BrClO

  • Chemical Name:

    1-Bromo-2-chloro-4-methoxybenzene

  • Synonyms:

    Benzene,1-bromo-2-chloro-4-methoxy-;1-Bromo-2-chloro-4-methoxybenzene;4-Bromo-3-chloroanisole;3-Chloro-4-bromoanisole;1-Bromo-2-chloro-4-(methyloxy)benzene

Description

Light yellow liquid

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

221.48

221.48

DTXSID70373596

2909309090

Characteristics

9.2

3.4

1.6±0.1 g/cm3

129-132°C

106.8±21.8 °C

1.556

Safety Information

22-51

Xn

Harmful

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-2-chloro-4-methoxybenzene Use and Manufacturing

General procedure: To a reaction tube charged with NBS (1.5 equiv, 0.3 mmol), catalyst (10 molpercent, 0.02 mmol) and CHPreparation of 1-bromo-2-chloro-4-methoxy benzene 356 mg (1.76 mmol) of 4-bromo-3-chlorophenol was dissolved in 20 ml of dimethylformamide, and 365 mg (2.64 mmol) of potassium carbonate and 0.13 ml (2.11 mmol) of iodomethane were added thereto, followed by stirring at room temperature. After 2 hours, the solvent was removed in vacuo, the residue was dissolved in 100 ml of ethyl acetate and washed with 50 ml of water and 50 ml of saturated aqueous NACI, then dried over anhydrous MGS04. The crude compound, obtained after removing the solvent in VACUO, was purified by column chromatography (HEXANE/ETHYL ACETATE = 9/1, v/v) to give 275 mg (1.24 mmol) of the title compound at 70.7percent yield. 1H NMR (CDCL3, PPM) ; 8 7. 89 (1H, s), 7.43 (1H, d), 7.21 (1H, d), 4.22 (3H, s) FAB MS (m/e) = 222 [M+1]

Computed Properties

Molecular Weight:221.48
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:219.92906
Monoisotopic Mass:219.92906
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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