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5-Bromo-3-thiophenecarboxaldehyde

5-Bromo-3-thiophenecarboxaldehyde structure

5-Bromo-3-thiophenecarboxaldehyde 

structure
  • CAS No:

    18791-79-2

  • Formula:

    C5H3BrOS

  • Chemical Name:

    5-Bromo-3-thiophenecarboxaldehyde

  • Synonyms:

    3-Thiophenecarboxaldehyde,5-bromo-;5-Bromo-3-thiophenecarboxaldehyde;5-Bromo-3-formylthiophene;5-Bromo-3-thiophenecarbaldehyde;2-Bromothiophene-4-carboxaldehyde

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

5-Bromo-3-thiophenecarboxaldehyde Basic Attributes

191.05

191.05

DTXSID20484383

2934999090

Characteristics

45.3

2.1

1.757 g/mL at 25 °C

237-242°C

>110℃

n20/D1.624

2-8°C

0.042mmHg at 25°C

Safety Information

3

22-36/37/38-43

26-36/37

Xn

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

5-Bromo-3-thiophenecarboxaldehyde Use and Manufacturing

Thiophene-3-carbaldehyde (6.5 g, 0.06 mol) was dissolved in 200 mL of dichloromethane (dry), and 14 g of aluminum chloride was added. The dark solution was stirred for 10 min and solution of bromine (10 g, 0.066 mol) in 10 mL of dichloromethane was added dropwise over 10 min period. The mixture was stirred for 12 h and poured onto crush-ice. The organic layer was separated and extracted with 2 N HCl, washed by water. The organic phase was dried over anhydrous MgSOAnhydrous aluminum chloride (5.9 g, 44.5 mmol) was added in small portions over a period of 2 h to a solution of thiophene-3-carbaldehyde (2.0 g, 17.8 mmol) in CHAlCl

Computed Properties

Molecular Weight:191.05
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.90880
Monoisotopic Mass:189.90880
Topological Polar Surface Area:45.3
Heavy Atom Count:8
Complexity:96.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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