-
Name
4,4-DIMETHYLCYCLOHEXA-1,5-DIENYLBORONIC ACID PINACOL ESTER
- EINECS
- CAS No. 871333-97-0
- Density 0.95 g/cm3
- Solubility
- Melting Point 32-34 °C
- Formula C14H23BO2
- Boiling Point 257.2 °C at 760 mmHg
- Molecular Weight 234.146
- Flash Point 109.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 4,4-DIMETHYLCYCLOHEXA-1,5-DIENYLBORONIC ACID PINACOL ESTER;4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester 96%;4,4-DiMethylcyclohexa-1,5-diene-1-boronic acid pinacol ester, 96%;2-(4,4-DiMethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane;(4,4-Dimethylcyclohexa-1,5-dien-1-yl)boronic acid, pinacol ester
- PSA 18.46000
- LogP 3.53030
1,3,2-Dioxaborolane,2-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-4,4,5,5-tetramethyl- Specification
The 1,3,2-Dioxaborolane,2-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-4,4,5,5-tetramethyl- is an organic compound with the formula C14H23BO2. The systematic name of this chemical is 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With the CAS registry number 871333-97-0, it is also named as 4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester. The product's categories are Blocks; BoronicAcids.
Physical properties about 1,3,2-Dioxaborolane,2-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-4,4,5,5-tetramethyl- are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 18.46 Å2; (4)Index of Refraction: 1.479; (5)Molar Refractivity: 69.34 cm3; (6)Molar Volume: 244.2 cm3; (7)Polarizability: 27.49×10-24cm3; (8)Surface Tension: 29 dyne/cm; (9)Density: 0.95 g/cm3; (10)Flash Point: 109.4 °C; (11)Enthalpy of Vaporization: 47.48 kJ/mol; (12)Boiling Point: 257.2 °C at 760 mmHg; (13)Vapour Pressure: 0.0237 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(C=C2)(C)C
(2)InChI: InChI=1/C14H23BO2/c1-12(2)9-7-11(8-10-12)15-16-13(3,4)14(5,6)17-15/h7-9H,10H2,1-6H3
(3)InChIKey: CJBWRIUXENKJRO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H23BO2/c1-12(2)9-7-11(8-10-12)15-16-13(3,4)14(5,6)17-15/h7-9H,10H2,1-6H3
(5)Std. InChIKey: CJBWRIUXENKJRO-UHFFFAOYSA-N
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