3-Bromo-5-chlorophenylethanone
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3-Bromo-5-chlorophenylethanone
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CAS No:
154257-85-9
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Formula:
C8H6BrClO
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Chemical Name:
3-Bromo-5-chlorophenylethanone
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Synonyms:
1-(3-Bromo-5-chlorophenyl)ethanone;3"-BROMO-5"-CHLOROACETOPHENONE;3-Bromo-5-chlorophenylethanone;1-(3-BROMO-5-CHLOROPHENYL)ETHAN-1-ONE;PubChem23803;SCHEMBL6246571;CTK8C1979;KS-00000QIS;DTXSID40599327;3-BROMO-5-CHLOROACETOPHENONE
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CAS No:
Safety Information
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, P501
H302
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Bromo-5-chlorophenylethanone Use and Manufacturing
Preparation of 1-(3-bromo-5-chlorophenyl)ethan-1-one (C148) (0740)(0741)656 1, 3-Dibromo-5-chlorobenzene (5.0 g, 18.5 mmol) was dissolved in 167 diethyl ether (61.6 mL) and cooled to −78° C. Because the compound came out of solution, the mixture was removed from the cooling bath. As soon as stirring was again visible from temperature warming, 168 n-butyllithium (8.14 mL, 20.34 mmol) was added dropwise, and the solution was re-immersed in the cold bath. The solution took on a bright yellow color, and the mixture was stirred for 30 minutes. At this point a slight yellow precipitate was visible. 657 N-Methoxy-N-methylacetamide (2.359 mL, 22.19 mmol) was added dropwise, and the reaction mixture was stirred for 10 minutes, then warmed slowly to room temperature. The reaction mixture was quenched with 1 N hydrochloric acid and was extracted with diethyl ether. The combined organic extracts were washed with brine, dried over sodium sulfate and concentrated. The resulting oil was purified on silica running a 0-15percent gradient of 110 acetone in hexanes. The 658 title compound was isolated as a white solid (3.7 g, 86percent): mp 33-36° C.;
Computed Properties
Molecular Weight:233.49
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:231.92906
Monoisotopic Mass:231.92906
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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