Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Phenol,2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
EINECS | N/A |
CAS No. | 269410-25-5 | Density | 1.06 g/cm3 |
PSA | 38.69000 | LogP | 2.30820 |
Solubility | Insoluble in water | Melting Point |
100-105 °C(lit.) |
Formula | C14H21BO3 | Boiling Point | 367.3 °C at 760 mmHg |
Molecular Weight | 248.13 | Flash Point | 176 °C |
Transport Information | N/A | Appearance | White to beige crystalline powder |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;2,6-Dimethylphenol-4-boronic acid pinacol ester;4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol ester; |
Article Data | 2 |
The CAS register number of Phenol,2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 269410-25-5. It also can be called as 4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol ester and the IUPAC name about this chemical is 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. The molecular formula about this chemical is C14H21BO3 and the molecular weight is 248.13. It belongs to the following product categories which include Phenoles and thiophenoles; Heterocyclic Compounds; B (Classes of Boron Compounds); Boronic Acids Esters and so on.
Physical properties about Phenol,2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.512; (6)Molar Refractivity: 70.23 cm3; (7)Molar Volume: 234 cm3; (8)Polarizability: 27.84x10-24cm3; (9)Surface Tension: 36 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 176 °C; (12)Enthalpy of Vaporization: 63.8 kJ/mol; (13)Boiling Point: 367.3 °C at 760 mmHg; (14)Vapour Pressure: 6.51E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry places, avoid contact with oxide, compatible material and the storage temperature of this chemical is below 4 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cc(c(O)c(c2)C)C
(2)InChI: InChI=1/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
(3)InChIKey: TYCKOBOJYNRIBO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
(5)Std. InChIKey: TYCKOBOJYNRIBO-UHFFFAOYSA-N