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CAS No.: | 635305-47-4 |
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Name: | 3-CHLOROPHENYLBORONIC ACID, PINACOL ESTER |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C12H16BClO2 |
Molecular Weight: | 238.522 |
Synonyms: | 3-Chlorophenylboronicacid pinacol ester; |
Density: | 1.103 g/cm3 |
Boiling Point: | 317.893 °C at 760 mmHg |
Flash Point: | 146.057 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 18.46000 |
LogP: | 2.63920 |
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The 1,3,2-Dioxaborolane,2-(3-chlorophenyl)-4,4,5,5-tetramethyl-, with the CAS registry number 635305-47-4, is also known as 3-Chlorophenylboronic acid pinacol ester. This chemical's molecular formula is C12H16BClO2 and molecular weight is 238.093188. Its IUPAC name is called 2-(3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
Physical properties of 1,3,2-Dioxaborolane,2-(3-chlorophenyl)-4,4,5,5-tetramethyl-: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 1; (3)Index of Refraction: 1.506; (4)Molar Refractivity: 64.284 cm3; (5)Molar Volume: 216.324 cm3; (6)Surface Tension: 33.132 dyne/cm; (7)Density: 1.103 g/cm3; (8)Flash Point: 146.057 °C; (9)Enthalpy of Vaporization: 53.707 kJ/mol; (10)Boiling Point: 317.893 °C at 760 mmHg; (11)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)Cl
(2)InChI: InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
(3)InChIKey: CHQKHVZXPNHWEA-UHFFFAOYSA-N