Cas no 63165-49-1 (Benzoic acid, 2,3,4,6-tetrabromo-5-fluoro-)
63165-49-1 structure
Product Name:Benzoic acid, 2,3,4,6-tetrabromo-5-fluoro-
CAS No:63165-49-1
MF:C7HBr4FO2
MW:455.696042776108
CID:1645767
Update Time:2024-09-12
Benzoic acid, 2,3,4,6-tetrabromo-5-fluoro- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,3,4,6-tetrabromo-5-fluoro-
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- Inchi： 1S/C7HBr4FO2/c8-2-1(7(13)14)3(9)6(12)5(11)4(2)10/h(H,13,14)
- InChI Key： ZFRXOEMMLSAXHG-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=C(Br)C(F)=C(Br)C(Br)=C1Br
Computed Properties
- Exact Mass: 451.66923
Experimental Properties
- Density: 2.666±0.06 g/cm3(Predicted)
- Melting Point: 196-198 °C
- Boiling Point: 397.9±42.0 °C(Predicted)
- PSA: 37.3
- pka: 0.54±0.10(Predicted)
Benzoic acid, 2,3,4,6-tetrabromo-5-fluoro- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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