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CAS No.: | 850567-51-0 |
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Name: | 3-AMINOBENZENEBORONIC ACID, PINACOL ESTER HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C12H19BClNO2 |
Molecular Weight: | 255.55 |
Synonyms: | Benzenamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (9CI);3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride;3-Aminobenzeneboronic acid, pinacol ester hydrochloride; |
Melting Point: | 176-182 °C |
Boiling Point: | 381.6 °C at 760 mmHg |
Flash Point: | 184.6 °C |
Hazard Symbols: | Xi |
PSA: | 44.48000 |
LogP: | 2.95120 |
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The Benzenamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1), with the CAS registry number 850567-51-0, is also known as 3-Aminobenzeneboronic acid, pinacol ester hydrochloride. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C12H19BClNO2 and molecular weight is 255.55. What's more, its systematic name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride.
Physical properties of Benzenamine,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1) are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 44.48 Å2; (5)Flash Point: 184.6 °C; (6)Enthalpy of Vaporization: 64.23 kJ/mol; (7)Boiling Point: 381.6 °C at 760 mmHg; (8)Vapour Pressure: 3.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)N.Cl
(2)InChI: InChI=1S/C12H18BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;/h5-8H,14H2,1-4H3;1H
(3)InChIKey: JKYHLNAXOSAGCE-UHFFFAOYSA-N