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Home > Encyclopedia > 4-BROMO-BENZOTHIAZOL-5-YLAMINE

4-BROMO-BENZOTHIAZOL-5-YLAMINE

4-BROMO-BENZOTHIAZOL-5-YLAMINE structure

4-BROMO-BENZOTHIAZOL-5-YLAMINE 

structure
  • CAS No:

    769-19-7

  • Formula:

    C7H5BrN2S

  • Chemical Name:

    4-BROMO-BENZOTHIAZOL-5-YLAMINE

  • Synonyms:

    5-Benzothiazolamine, 4-bromo-;5-AMINO-4-BROMO-BENZOTHIAZOLE;4-BROMO-BENZOTHIAZOL-5-YLAMINE;4-BroMobenzo[d]thiazol-5-aMine;4-broMo-1,3-benzothiazol-5-aMine;5-Amino-4-bromo-1,3-benzothiazole;4-Bromo-1,3-benzothiazol-5-ylamine

4-BROMO-BENZOTHIAZOL-5-YLAMINE Basic Attributes

229.1

227.93600

DTXSID00625792

2934200090

Characteristics

67.2

2.4

1.836 g/cm3

115 °C

359.3°C at 760 mmHg

1.783

Safety Information

45

T

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

H315

4-BROMO-BENZOTHIAZOL-5-YLAMINE Use and Manufacturing

A solution of Br2 (2.3 g, 14.4 mmol) in CHC13 (10 mL) was added dropwise to a solution of benzo[d]thiazol-5-amine (2.1 g, 14.0 mmol) in CHC13 (100 mL) at 10 °C. The mixture was stirred at room temperature for 1 hour. The reaction mixture was basified with saturated aqueous Na2CO3 (100 mL) and extracted with DCM (3x30 mL). The combined organic layers were dried over Na2SO4 and concentrated in vacuo. The residue was purified by column chromatography on silica gel (EtOAc/petroleum ether = 1 :81 :4) to afford the title compound as yellow solids (2.3 g). 1H NMR (300 MHz, CDCl3): ö 9.01 (s, 1H), 7.66 (d, 1H), 6.95 (d, 1H), 4.33 (s, 2H).

Computed Properties

Molecular Weight:229.10
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:227.93568
Monoisotopic Mass:227.93568
Topological Polar Surface Area:67.2
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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