6-BROMOQUINOLINE-4-CARBOXYLIC ACID
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6-BROMOQUINOLINE-4-CARBOXYLIC ACID
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CAS No:
160233-76-1
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Formula:
C10H6BrNO2
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Chemical Name:
6-BROMOQUINOLINE-4-CARBOXYLIC ACID
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Synonyms:
6-Bromoquinoline-4-carboxylic acid;4-Quinolinecarboxylic acid, 6-bromo-;6-Bromo-4-quinolinecarboxylic acid;SCHEMBL7367248;CTK8B6612;DTXSID20594219;KS-00000HY8;ANW-53755;MFCD00681026;ZINC38541155
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-BROMOQUINOLINE-4-CARBOXYLIC ACID Use and Manufacturing
Lithium aluminum hydride (150.76 mg, 3.97 mmol) was added to 50 mL of tetrahydrofuran. The reaction solution was added with 6-Bromoquinoline-4-carboxylic acid 1j (3.5 g, 13.89 mmol) was dissolved in 50 mL of methanol, then thionyl chloride (1.65 g, 13.89 mmol) was added. The reaction solution was warmed up to reflux and stirred for 12 hours. The reaction solution was cooled to room temperature, and concentrated under reduced pressure to obtain the crude title compound 1k (3.7 g), which was used directly in the next step without purification.
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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6-BROMOQUINOLINE-4-CARBOXYLIC ACID
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