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CAS No.: | 73852-18-3 |
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Name: | 2,4,6-Trichlorophenylboronic acid |
Molecular Structure: | |
Formula: | C6H4BCl3O2 |
Molecular Weight: | 225.267 |
Synonyms: | 2,4,6-Trichlorobenzeneboronic acid; |
Density: | 1.6 g/cm3 |
Melting Point: | 162-164 ºC |
Boiling Point: | 363.9 ºC at 760 mmHg |
Flash Point: | 173.9 ºC |
Hazard Symbols: | Xi |
PSA: | 40.46000 |
LogP: | 1.32660 |
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The 2,4,6-Trichlorophenylboronic acid, with the CAS registry number 73852-18-3, is also known as 2,4,6-Trichlorobenzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C6H4BCl3O2 and molecular weight is 225.26. What's more, its IUPAC name is the same with its product name. It should be kept in a cold place. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2,4,6-Trichlorophenylboronic acid are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 229.47; (6)ACD/BCF (pH 7.4): 165.38; (7)ACD/KOC (pH 5.5): 1701.41; (8)ACD/KOC (pH 7.4): 1226.21; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 47.77 cm3; (15)Molar Volume: 140.6 cm3; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.6 g/cm3; (18)Flash Point: 173.9 °C; (19)Enthalpy of Vaporization: 64.36 kJ/mol; (20)Boiling Point: 363.9 °C at 760 mmHg; (21)Vapour Pressure: 6.22E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)cc(Cl)c1B(O)O
(2) InChI: InChI=1S/C6H4BCl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
(3) InChIKey: JWWBOINZBOIAHR-UHFFFAOYSA-N