Cas no 27074-08-4 (1,3-Benzenedicarboxylic acid, 5-chloro-2,4,6-trifluoro-)
27074-08-4 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-chloro-2,4,6-trifluoro-
CAS No:27074-08-4
MF:C8H2ClF3O4
MW:254.547292232513
CID:1429073
Update Time:2024-08-15
1,3-Benzenedicarboxylic acid, 5-chloro-2,4,6-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-chloro-2,4,6-trifluoro-
- 5-chloro-2,4,6-trifluoroisophthalic acid
-
- Inchi: 1S/C8H2ClF3O4/c9-3-5(11)1(7(13)14)4(10)2(6(3)12)8(15)16/h(H,13,14)(H,15,16)
- InChI Key: VAHHXWBHINRSFX-UHFFFAOYSA-N
- SMILES: C1(C(O)=O)=C(F)C(Cl)=C(F)C(C(O)=O)=C1F
Computed Properties
- Exact Mass: 253.95936
Experimental Properties
- Density: 1.830±0.06 g/cm3(Predicted)
- Boiling Point: 373.1±42.0 °C(Predicted)
- PSA: 74.6
- pka: 1.24±0.10(Predicted)
1,3-Benzenedicarboxylic acid, 5-chloro-2,4,6-trifluoro- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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