-
Name
3-Aminophenylboronic acid pinacol ester
- EINECS
- CAS No. 210907-84-9
- Article Data36
- CAS DataBase
- Density 1.051 g/cm3
- Solubility insoluble in water
- Melting Point 89-94 °C
- Formula C12H18BNO2
- Boiling Point 351.238 °C at 760 mmHg
- Molecular Weight 219.091
- Flash Point 166.223 °C
- Transport Information
- Appearance light brown crystals or powder
- Safety 37/39-26-36
- Risk Codes 36/37/38
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 2-(3-Aminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamine;
- PSA 44.48000
- LogP 2.14920
3-Aminophenylboronic acid pinacol ester Specification
The 3-Aminophenylboronic acid pinacol ester, with the CAS registry number 210907-84-9, is also known as Benzenamine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. This chemical's molecular formula is C12H18BNO2 and molecular weight is 219.09. What's more, both its IUPAC name and systematic name are the same which is called 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 3-Aminophenylboronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 44.48 Å2; (5)Index of Refraction: 1.517; (6)Molar Refractivity: 63.075 cm3; (7)Molar Volume: 208.552 cm3; (8)Polarizability: 25.005×10-24cm3; (9)Surface Tension: 35.71 dyne/cm; (10)Density: 1.051 g/cm3; (11)Flash Point: 166.223 °C; (12)Enthalpy of Vaporization: 59.592 kJ/mol; (13)Boiling Point: 351.238 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O1B(OC(C)(C)C1(C)C)c2cccc(N)c2
(2) InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3
(3) InChIKey: YMXIIVIQLHYKOT-UHFFFAOYSA-N
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