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CAS Number: 14401-73-1
1-(3,5-dibromophenyl)ethanone

Structure

1-(3,5-dibromophenyl)ethanone
Name: 1-(3,5-dibromophenyl)ethanone
Synonyms:
General Information
Product Number: 14401731

CAS Registry Number 14401-73-1
Name:
Ethanone, 1-​(3,​5-​dibromophenyl)​-
Acetophenone, 3',5'-dibromo- (6CI,7CI,8CI)
1-(3,5-Dibromophenyl)ethanone
3,5-Dibromoacetophenone

 

Chemical Formula: C8H6Br2O
Exact Mass: 275.88
Molecular Weight: 277.94
m/z: 277.88 (100.0%), 275.88 (51.3%), 279.87 (48.6%), 278.88 (8.8%), 276.88 (4.5%), 280.88 (4.3%)

 

InChI:InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

InChI Key:NHFJDRRYVMJBRJ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC(=CC(=C1)Br)Br

 

Thermal Properties Value Condition Note
Boiling Point 160-164 °C Press: 1-2 Torr (1)CAS
Melting Point 188-189 °C   (2)CAS
Melting Point 66 °C   (3)CAS
Melting Point 65 °C   (2)CAS
Melting Point 64-65 °C   (1)CAS
Melting Point 61-63 °C   (4)CAS
Melting Point 61.0-61.5 °C   (5)IC

Specification

98%

References
  1. (1) Lutz, Robert E.; Journal of Organic Chemistry 1947, V12, P617-703 CAPLUS
  2. (2) Bruining, W. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1922, V41, P655-86 CAPLUS
  3. (3) Fuchs, Walter; Monatshefte fuer Chemie 1915, V36, P113-41 CAPLUS
  4. (4) Percec, Virgil; Journal of Organic Chemistry 2001, V66(6), P2104-2117 CAPLUS
  5. (5) Tashiro, Masashi; Organic Preparations and Procedures International 1987, V19(6), P442-6 CAPLUS
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