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8-Bromo-5-quinolinecaroxylic acid

8-Bromo-5-quinolinecaroxylic acid structure

8-Bromo-5-quinolinecaroxylic acid 

structure
  • CAS No:

    204782-96-7

  • Formula:

    C10H6BrNO2

  • Chemical Name:

    8-Bromo-5-quinolinecaroxylic acid

  • Synonyms:

    8-Bromo-5-quinolinecaroxylic acid;8-Bromo-5-quinoline-5-carboxylic acid;8-BroMoquinoline-5-carboxylic acid;8-BroMo-5-quinolinecarboxylic acid

  • Categories:

    Chemical Reagents  >  Organic Reagents

8-Bromo-5-quinolinecaroxylic acid Basic Attributes

252.066

250.958176

DTXSID00452242

2933499090

Characteristics

50.2

2.4

1.7±0.1 g/cm3

425.9°C at 760 mmHg

211.4±24.6 °C

1.709

Safety Information

IRRITANT

8-Bromo-5-quinolinecaroxylic acid Use and Manufacturing

Step 3: 8-Bromoquinoline-5-carboxylic Acid At 150 C., 5.0 g of 8-bromo-5-cyanoquinoline were added a little at a time to 10.10 g of 75% strength sulfuric acid. After one hour, the reaction mixture was cooled, poured into ice water and extracted with ethyl acetate. The organic phase was dried and concentrated. Yield: 3.6 g (1H-NMR (d6-DMSO; delta in ppm): 7.80 (m, 1H); 8.18 (m, 1H); 8.30 (m, 1H); 9.15 (m, 1H); 9.40 (m, 1H))Step 3: 8-Bromoquinoline-5-carboxylic acid At 150 C., 5.0 g of 8-bromo-5-cyanoquinoline were added a little at a time to 10.10 g of 75% strength sulfuric acid. After one hour, the reaction mixture was cooled, poured into ice water and extracted with ethyl acetate. The organic phase was dried and concentrated. Yield: 3.6 g (1H-NMR (d6-DMSO; delta a in ppm): 7.80 (m, 1H); 8.18 (m, 1H); 8.30 (m, 1H); 9.15 (m, 1H); 9.40 (m, 1H))Step 1: 8-Bromo-5-quinolinecarbonyl Chloride 2.3 g of

Computed Properties

Molecular Weight:252.06
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:250.95819
Monoisotopic Mass:250.95819
Topological Polar Surface Area:50.2
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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