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CAS Number: 4072-67-7
1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone)

Structure

1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone)
Name: 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone)
Synonyms:
General Information
Product Number: 4072677

CAS Registry Number: 4072-67-7

Name:

Ethanone, 1,​1'-​[1,​1'-​biphenyl]​-​4,​4'-​diylbis[2-​bromo-
4',​4'''-​Biacetophenone, 2,​2''-​dibromo- (6CI,​7CI,​8CI); 1,​1'-​[1,​1'-​Biphenyl]​-​4,​4'-​diylbis[2-​bromoethan-​1-​one]; 4,​4'-​Bis(2-​bromoacetyl)​biphenyl; 4,​4'-​Bis(bromoacetyl)​biphenyl; NSC 619613; p,​p'-​Bis(bromoacetyl)​biphenyl; α,​α'-​Dibromo-​4,​4'-​biacetophenone 

 

Chemical Formula: C16H12Br2O2
Exact Mass: 393.92
Molecular Weight: 396.07
m/z: 395.92 (100.0%), 393.92 (51.3%), 397.92 (48.9%), 396.92 (17.5%), 394.92 (8.9%), 398.92 (8.5%), 397.93 (1.4%)

 

InChI: InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2
InChIKey: RTSLQVZQORGDQQ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr

 

Thermal Properties Value Condition Note
Melting Point 226-227 °C Solv: benzene (71-43-2) (3)CAS
Melting Point 224-226 °C   (4)IC
Melting Point 223.9-224.4 °C   (5)IC
Melting Point 211-215 °C   (1)CAS
Melting Point See full text   (6)CAS
Melting Point See full text   (7)CAS

Specification

98%

References
  1. (1) Voss, Juergen; Phosphorus, Sulfur and Silicon and the Related Elements 2010, V185(11), P2249-2276 CAPLUS
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Long, J. P.; Journal of the American Pharmaceutical Association (1912-1977) 1954, V43, P79-86 CAPLUS
  4. (4) Smart, Louis A.; Journal of Medicinal Chemistry 1983, V26(1), P104-7 CAPLUS
  5. (5) Haarstad, Vernon B.; Journal of Medicinal Chemistry 1976, V19(6), P760-3 CAPLUS
  6. (6) Gryszkiewicz-Trochimowski, Eustache; Bulletin de la Societe Chimique de France 1958, P1156-9 CAPLUS
  7. (7) Schubert, Hermann; Journal fuer Praktische Chemie (Leipzig) 1963, V22(3-4), P140-52 CAPLUS
  8. (8) Bruce, Michael J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry 1995, (14), P1789-95 CAPLUS
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