Basic information
- Name:
1,3,2-Dioxaborolane,2-(1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-
- Superlist Name:
- Cyclohexene-1-boronic acid pinacol ester
- CAS No.:
141091-37-4
- Molecular Structure:
- Formula:
- C12H21BO2
- Molecular Weight:
- 208.10
- Synonyms:
- 2-(1-Cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(1-Cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
- Density:
- 0.955 g/cm3
- Boiling Point:
- 232.001 °C at 760 mmHg
- Flash Point:
- 94.111 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39 Details
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Specification
The Cyclohexene-1-boronic acid pinacol ester is an organic reagent with the formula C12H21BO2. The IUPAC name is 2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With the CAS registry number 141091-37-4, it is also named as 1,3,2-dioxaborolane, 2-(1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-. The product's categories are alkyl; organoborons; alkenyl; boronate esters; boronic acids and derivatives. It is stable under normal temperature and pressure. In addition, Cyclohexene-1-boronic acid pinacol ester is used as pharmaceutical intermediates. Furthermore, it must be sealed in the container at 2-8 °C.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.464; (5)Molar Refractivity: 60.171 cm3; (6)Molar Volume: 217.857 cm3; (7)Polarizability: 23.854×10-24 cm3; (8)Surface Tension: 28.383 dyne/cm; (9)Enthalpy of Vaporization: 44.964 kJ/mol; (10)Vapour Pressure: 0.092 mmHg at 25°C; (11)Rotatable Bond Count: 1; (12)Exact Mass: 208.16346; (13)MonoIsotopic Mass: 208.16346; (14)Topological Polar Surface Area: 18.5; (15)Heavy Atom Count: 15; (16)Complexity: 265.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2;
2. InChI: InChI=1/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3.