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Home > Encyclopedia > 3-Bromo-1H-indazole

3-Bromo-1H-indazole

3-Bromo-1H-indazole structure

3-Bromo-1H-indazole 

structure
  • CAS No:

    40598-94-5

  • Formula:

    C7H5BrN2

  • Chemical Name:

    3-Bromo-1H-indazole

  • Synonyms:

    1H-Indazole,3-bromo-;3-Bromo-1H-indazole;3-Bromoindazole

Description

White solid

3-Bromo-1H-indazole Basic Attributes

197.03

197.03

DTXSID30352241

2933990090

Characteristics

28.7

2.6

1.8±0.1 g/cm3

141-142 °C

179.2°C at 760 mmHg

155.7±20.4 °C

1.728

Safety Information

2811

3

6.1

26-45

T

P261-P301 + P310-P305 + P351 + P338

H301-H315-H319-H335

3-Bromo-1H-indazole Use and Manufacturing

A. Bromine (1.5g, 9.4mmol) in 2M NaOH solution (lOmL) was added drop wise tosuspension of indazole (1.5g, 12.7mmol) in 2M NaOH solution (23mL) at ambient temperature. Stined the reaction mass for 3h at room temperature and added sodium bisulfate (0.05g) followed by the addition of 2N HC1. The solid precipitated was filtered out and washed with water, suction dried followed by in Rotavap under reduced pressure to afford the title compound (2g, 80percent). LCMS: mlz = 197.1 (M+H).3-Bromoindazole 4a was prepared using a procedure described by Boulton, B. E. and Coller, A. W (Aust. J Chem., 1974, 27, 2343-2346):

Computed Properties

Molecular Weight:197.03
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:195.96361
Monoisotopic Mass:195.96361
Topological Polar Surface Area:28.7
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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