Cas no 63165-45-7 (Benzoic acid, 2,3,4,5-tetrabromo-6-methyl-)
63165-45-7 structure
Product Name:Benzoic acid, 2,3,4,5-tetrabromo-6-methyl-
CAS No:63165-45-7
MF:C8H4Br4O2
MW:451.732159614563
CID:1644896
Update Time:2024-08-30
Benzoic acid, 2,3,4,5-tetrabromo-6-methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,3,4,5-tetrabromo-6-methyl-
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- Inchi： 1S/C8H4Br4O2/c1-2-3(8(13)14)5(10)7(12)6(11)4(2)9/h1H3,(H,13,14)
- InChI Key： LIIDUPNLTYDTEI-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=C(C)C(Br)=C(Br)C(Br)=C1Br
Computed Properties
- Exact Mass: 447.69432
Experimental Properties
- Density: 2.468±0.06 g/cm3(Predicted)
- Melting Point: 236-238 °C
- Boiling Point: 441.3±45.0 °C(Predicted)
- PSA: 37.3
- pka: 1.48±0.38(Predicted)
Benzoic acid, 2,3,4,5-tetrabromo-6-methyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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