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CAS Number: 2113-68-0
[1,1'-biphenyl]-4-sulfonic acid

Structure

[1,1'-biphenyl]-4-sulfonic acid
Name: [1,1'-biphenyl]-4-sulfonic acid
Synonyms:
General Information
Product Number: 2113680
CAS Registry Number:
2113-68-0
Name:
[1,​1'-​Biphenyl]​-​4-​sulfonic acid
4-​Biphenylsulfonic acid (6CI,​7CI,​8CI); 4-​Sulfobiphenyl; Diphenyl-​4-​sulfonic acid; NSC 158280; p-​Biphenylsulfonic acid 
 
Chemical Formula: C12H10O3S
Exact Mass: 234.04
Molecular Weight: 234.27
m/z: 234.04 (100.0%), 235.04 (13.2%), 236.03 (4.5%), 236.04 (1.5%)
Elemental Analysis: C, 61.52; H, 4.30; O, 20.49; S, 13.69
 
InChI: InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)
InChIKey: XDTYUYVIGLIFCW-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O
 
Thermal Properties Value Condition Note
Melting Point 138-140 °C   (4)CAS

Specification

98%

References

  • (4) Schultz, Robert G.; Journal of Organic Chemistry 1961, V26, P5195-6 CAPLUS
  • (5) Roemmele, Renee C.; Journal of Organic Chemistry 1988, V53(10), P2367-71 CAPLUS
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