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CAS Number: 54118-75-1
(4-bromophenyl)(4-methoxyphenyl)methanone

Structure

(4-bromophenyl)(4-methoxyphenyl)methanone
Name: (4-bromophenyl)(4-methoxyphenyl)methanone
Synonyms:
General Information
Product Number: 54118751

CAS Registry Number 54118-75-1
Name:
Methanone, (4-?bromophenyl)?(4-?methoxyphenyl)?-
Benzophenone, 4-bromo-4'-methoxy- (6CI)
(4-Bromophenyl)(4-methoxyphenyl)methanone
4-Bromo-4'-methoxybenzophenone

 

Chemical Formula: C14H11BrO2
Exact Mass: 289.99
Molecular Weight: 291.14
m/z: 289.99 (100.0%), 291.99 (97.3%), 291.00 (15.3%), 293.00 (15.0%), 292.00 (1.5%), 294.00 (1.5%)

 

InChI:InChI=1S/C14H11BrO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3

InChI Key:VFMPCNWWYIQPCN-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 160-161 °C   (6)CAS
Melting Point 158-159 °C   (7)CAS
Melting Point 156.0-157.6 °C Solv: toluene (108-88-3) (8)CAS
Melting Point 155.0-155.4 °C   (3)CAS
Melting Point 151-152 °C   (4)CAS
Melting Point 147-149 °C   (1)CAS

Specification

98%

References
  1. (1) Rao, Maddali L. N.; Tetrahedron 2007, V63(52), P12917-12926 CAPLUS
  2. (3) Ito, Kazuta; Journal of the American Chemical Society 2011, V133(11), P3716-3719 CAPLUS
  3. (4) Fausett, Bryan W.; Journal of Organic Chemistry 2005, V70(12), P4851-4853 CAPLUS
  4. (6) Unger, I. F.; Justus Liebigs Annalen der Chemie 1933, V504, P267-86 CAPLUS
  5. (7) Allen, Robert E.; Journal of the American Chemical Society 1958, V80, P591-8 CAPLUS
  6. (8) Mills, Randell; Journal of Pharmaceutical Sciences 2004, V93(5), P1320-1336 CAPLUS
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