CAS No.171364-78-6,4-(N,N-DIMETHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	171364-78-6
Name:	4-(N,N-DIMETHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
Article Data:	61

Formula:	C₁₄H₂₂BNO₂
Molecular Weight:	247.145
Synonyms:	2-(4-(Dimethylamino)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-Dimethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine;
Density:	1.01 g/cm³
Melting Point:	122-123 °C
Boiling Point:	347.1 °C at 760 mmHg
Flash Point:	163.7 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	21.70000
LogP:	2.05180

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Specification

The Benzenamine,N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 171364-78-6, is also known as 4-(Dimethylamino)phenylboronic acid pinacol ester. This chemical's molecular formula is C₁₄H₂₂BNO₂ and molecular weight is 247.14. What's more, both its IUPAC name and systematic name are the same which is called N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Physical properties about Benzenamine,N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 21.7 Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 72.59 cm³; (7)Molar Volume: 243.9 cm³; (8)Surface Tension: 33.3 dyne/cm; (9)Density: 1.01 g/cm³; (10)Flash Point: 163.7 °C; (11)Enthalpy of Vaporization: 59.14 kJ/mol; (12)Boiling Point: 347.1 °C at 760 mmHg; (13)Vapour Pressure: 5.49E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is 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)c2ccc(N(C)C)cc2
(2) InChI: InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
(3) InChIKey: DGMLJJIUOFKPKB-UHFFFAOYSA-N