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CAS Number: 5748-41-4
4'-chloro-[1,1'-biphenyl]-4-carboxylic acid

Structure

4'-chloro-[1,1'-biphenyl]-4-carboxylic acid
Name: 4'-chloro-[1,1'-biphenyl]-4-carboxylic acid
Synonyms:
General Information
Product Number: 5748414

CAS Registry Number 5748-41-4
Name:
[1,​1'-​Biphenyl]​-​4-​carboxylic acid, 4'-​chloro-
4-Biphenylcarboxylic acid, 4'-chloro- (6CI,7CI,8CI)
4-(4-Chlorophenyl)benzoic acid
4'-Chloro-1,1'-biphenyl-4-carboxylic acid
4'-Chloro-4-biphenylcarboxylic acid

 

Chemical Formula: C13H9ClO2
Exact Mass: 232.03
Molecular Weight: 232.66
m/z: 232.03 (100.0%), 234.03 (32.4%), 233.03 (14.1%), 235.03 (4.6%)

 

InChI:InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)

InChI Key:FIMRRWLTRBEAOM-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 290-293 °C   (5)CAS
Melting Point 290-291 °C   (6)CAS
Melting Point 290 °C   (7)CAS
Melting Point 290 °C   (8)CAS
Melting Point 290 °C Solv: ethanol (64-17-5) (9)CAS
Melting Point 289.8-290.8 °C Solv: acetic acid (64-19-7) (10)CAS

Specification

98%

References
  1. (1) Kylmala, Tuula; European Journal of Organic Chemistry 2008, (23), P4019-4024 CAPLUS
  2. (2) Prastaro, A.; Green Chemistry 2009, V11(12), P1929-1932 CAPLUS
  3. (5) FR 735846 1932 CAPLUS
  4. (6) Dannley, Ralph L.; Journal of the American Chemical Society 1954, V76, P4543-6 CAPLUS
  5. (7) Musante, Carlo; Gazzetta Chimica Italiana 1949, V79, P453-7 CAPLUS
  6. (8) Ganushchak, N. I.; Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologiya, Geofizika, Khimiya ta Biologiya 1969, V31(6), P517-19 CAPLUS
  7. (9) Musante, Carlo; Gazzetta Chimica Italiana 1950, V80, P868-83 CAPLUS
  8. (10) Berliner, Ernst; Journal of the American Chemical Society 1951, V73, P2479-83 CAPLUS
  9. (11) Niwa, Hiroshi; Tohoku Yakka Daigaku Kiyo 1957, V4, P1-18 CAPLUS
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