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CAS Number: 579-18-0
3-benzoylbenzoic acid

Structure

3-benzoylbenzoic acid
Name: 3-benzoylbenzoic acid
Synonyms:
General Information
Product Number: 579180

CAS Registry Number 579-18-0
Name:
Benzoic acid, 3-​benzoyl-
Benzoic acid, m-benzoyl- (7CI,8CI)
3-Benzophenonecarboxylic acid
3-Benzoylbenzoic acid
3-Carboxybenzophenone
NSC 409446

 

Chemical Formula: C14H10O3
Exact Mass: 226.06
Molecular Weight: 226.23
m/z: 226.06 (100.0%), 227.07 (15.4%), 228.07 (1.7%)

 

InChI:InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)

InChI Key:AXJXRLHTQQONQR-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 161-162 °C   (3)CAS
Melting Point 160-162 °C   (4)CAS
Melting Point 159-161.5 °C   (5)CAS
Melting Point 115 °C   (6)CAS
Melting Point See full text   (7)CAS

Specification

98%

References
  1. (3) Smith, Maurice E.; Journal of the American Chemical Society 1921, V43, P1920-4 CAPLUS
  2. (4) Newman, Melvin S.; Journal of the American Chemical Society 1951, V73, P3651-3 CAPLUS
  3. (5) Samdahl, B.; Bulletin de la Societe Chimique de France, Memoires 1938, V5, P1573-80 CAPLUS
  4. (6) Zetzsche, Fritz; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P183-8 CAPLUS
  5. (7) Kovacic, Peter; Journal of Organic Chemistry 1961, V26, P2541-2 CAPLUS
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