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| CAS No.: | 480424-98-4 |
|---|---|
| Name: | N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINAMIC ACID |
| Molecular Structure: | |
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| Formula: | C16H22BNO5 |
| Molecular Weight: | 319.165 |
| Synonyms: | 4-oxo-4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino}butanoic acid; |
| Density: | 1.18 g/cm3 |
| Melting Point: | 175-178 °C(lit.) |
| Boiling Point: | 539.7 °C at 760 mmHg |
| Flash Point: | 280.2 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 84.86000 |
| LogP: | 1.86210 |
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Specification
The Butanoic acid,4-oxo-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino]-, with the CAS registry number 480424-98-4, is also known as 4-oxo-4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino}butanoic acid. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C16H22BNO5 and molecular weight is 319.1606. What's more, its IUPAC name is 4-oxo-4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid. It is white crystalline powder. And this chemical should be stored in Refrigerator, the temperature is 4°C. Last but not the least, it should also be stored in condition of dry, inclosed and cold.
Physical properties about Butanoic acid,4-oxo-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino]- are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 65.07 Å2; (5)Index of Refraction: 1.532; (6)Molar Refractivity: 83.39 cm3; (7)Molar Volume: 268.9 cm3; (8)Polarizability: 33.06×10-24 cm3; (9)Surface Tension: 44.8 dyne/cm; (10)Density: 1.18 g/cm3; (11)Flash Point: 280.2 °C; (12)Enthalpy of Vaporization: 86 kJ/mol; (13)Boiling Point: 539.7 °C at 760 mmHg; (14)Vapour Pressure: 1.77E-12 mmHg at 25°C; (15)Melting Point: 175-178 °C(lit.).
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(=O)Nc2ccc(B1OC(C)(C)C(O1)(C)C)cc2
(2) InChI: InChI=1/C16H22BNO5/c1-15(2)16(3,4)23-17(22-15)11-5-7-12(8-6-11)18-13(19)9-10-14(20)21/h5-8H,9-10H2,1-4H3,(H,18,19)(H,20,21)
(3) InChIKey: GZCXOZHMQNWRGM-UHFFFAOYAF