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CAS No.: | 380430-61-5 |
---|---|
Name: | 2-Acetylaminophenylboronic acid pinacol ester |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H20BNO3 |
Molecular Weight: | 261.129 |
Synonyms: | N-[2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetamide; |
Density: | 1.078 g/cm3 |
Melting Point: | 172-176 °C(lit.) |
Boiling Point: | 424.2 °C at 760 mmHg |
Flash Point: | 210.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 47.56000 |
LogP: | 2.01720 |
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The cas register number of 2-Acetylaminophenylboronic acid pinacol ester is 380430-61-5. It also can be called as 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide and the IUPAC name about this chemical is N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide. It belongs to the following product categories, such as Amines, blocks, BoronicAcids, Boronic acids, API intermediates and so on.
Physical properties about 2-Acetylaminophenylboronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 38.77Å2; (5)Index of Refraction: 1.51; (6)Molar Refractivity: 72.47 cm3; (7)Molar Volume: 242.1 cm3; (8)Polarizability: 28.73x10-24cm3; (9)Surface Tension: 36.1 dyne/cm; (10)Flash Point: 210.3 °C; (11)Enthalpy of Vaporization: 67.86 kJ/mol; (12)Boiling Point: 424.2 °C at 760 mmHg; (13)Vapour Pressure: 2.11E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccccc2B1OC(C)(C)C(O1)(C)C)C
(2)InChI: InChI=1/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
(3)InChIKey: FTLANOKZIXLBML-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
(5)Std. InChIKey: FTLANOKZIXLBML-UHFFFAOYSA-N