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CAS Number: 13817-79-3
[1,1'-biphenyl]-4,4'-diyldiphosphonic acid

Structure

[1,1'-biphenyl]-4,4'-diyldiphosphonic acid
Name: [1,1'-biphenyl]-4,4'-diyldiphosphonic acid
Synonyms:
General Information
Product Number: 13817793
CAS Number:
13817-79-3
Name:
Phosphonic acid,P,P'-[1,1'-biphenyl]-4,4'-diylbis-
Synonyms:
Phosphonicacid, 4,4'-biphenylylenedi- (8CI); Phosphonic acid,[1,1'-biphenyl]-4,4'-diylbis- (9CI); 4,4'-Biphenylbis(phosphonic acid);4,4'-Biphenyldiphosphonic acid; 4,4'-Biphenylenebis(phosphonic acid);4,4'-Biphenylylenebis(phosphonic acid); Biphenyl-4,4'-diphosphonic acid; NSC129448
Chemical Formula: C12H12O6P2
Exact Mass: 314.01
Molecular Weight: 314.17
m/z: 314.01 (100.0%), 315.01 (13.0%), 316.02 (2.1%)
Elemental Analysis: C, 45.88; H, 3.85; O, 30.56; P, 19.72
InChI: InChI=1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,
17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)
InChIKey: QWSZMKCGMDROKE-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O
 
Thermal Properties Value Condition Note
Melting Point 359-364 °C Solv: methanol (67-56-1); water (7732-18-5) (1)CAS
Melting Point >300 °C   (2)CAS
Melting Point 254-258 °C   (3)IC

Specification

98%

References
  1. (1) Prochniak, G.; Acta Crystallographica, Section C: Crystal Structure Communications 2007, V63(7), Po434-o436 CAPLUS
  2. (2) Freedman, Leon D.; Journal of the American Chemical Society 1955, V77, P6223-4 CAPLUS
  3. (3) Katritzky, Alan R.; Talanta 1990, V37(9), P921-4 CAPLUS
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