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Home > Encyclopedia > 4-BROMO-1,3-BENZODIOXOLE

4-BROMO-1,3-BENZODIOXOLE

4-BROMO-1,3-BENZODIOXOLE structure

4-BROMO-1,3-BENZODIOXOLE 

structure
  • CAS No:

    6698-13-1

  • Formula:

    C7H5BrO2

  • Chemical Name:

    4-BROMO-1,3-BENZODIOXOLE

  • Synonyms:

    4-BROMO-1,3-BENZODIOXOLE;1,3-Benzodioxole,4-broMo-;4-Bromo-Benzo[1,3]Dioxole;4-broMo-2H-1,3-benzodioxole;4-broMobenzo[d][1,3]dioxole;1-Bromo-2,3-(methylenedioxy)benzene;3-Bromo-1,2-(methylenedioxy)benzene

4-BROMO-1,3-BENZODIOXOLE Basic Attributes

201.02

199.947281

DTXSID10379875

2932999099

Characteristics

18.5

2.4

1.7±0.1 g/cm3

82 °C

109.7±19.8 °C

1.603

Safety Information

R36/37/38

S26-S37/39

Xi

Irritant

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-BROMO-1,3-BENZODIOXOLE Use and Manufacturing

3-Bromoeatechol (1.88 g, 10 mmol) was added to a reaction solution of N, N-dimethylformamide (10 mL) and potassium carbonate (2.76 mL, 20 mmol), and then diiodomethane (5.4 g, 20 mmol) was added to the mixture and stirred at 60° C. for 3 hours.

Computed Properties

Molecular Weight:201.02
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:199.94729
Monoisotopic Mass:199.94729
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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