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CAS Number: 3114-31-6
1-(4-bromo-3-chlorophenyl)ethanone

Structure

1-(4-bromo-3-chlorophenyl)ethanone
Name: 1-(4-bromo-3-chlorophenyl)ethanone
Synonyms:
General Information
Product Number: 3114316
CAS Registry Number: 3114-31-6
Name:
Ethanone, 1-​(4-​bromo-​3-​chlorophenyl)​-
Acetophenone, 4'-​bromo-​3'-​chloro- (7CI); 1-​(4-​Bromo-​3-​chloro-​phenyl)​ethanone; 4-​Bromo-​3-​chloroacetophenone 
 
Chemical Formula: C8H6BrClO
Exact Mass: 231.93
Molecular Weight: 233.49
m/z: 233.93 (100.0%), 231.93 (77.3%), 235.92 (24.0%), 234.93 (8.7%), 232.93 (6.7%), 236.93 (2.1%)
Elemental Analysis: C, 41.15; H, 2.59; Br, 34.22; Cl, 15.18; O, 6.85
 
InChI: InChI=1S/C8H6BrClO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey: GODIGXNJTHCLHB-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC(=C(C=C1)Br)Cl

Specification

98%

References

PCT Int. Appl. (2013), WO 2013144224 A1 20131003. 

PCT Int. Appl. (2001), WO 2001002380 A1 20010111.

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