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CAS No.: | 269410-00-6 |
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Name: | ETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C15H21BO4 |
Molecular Weight: | 276.14 |
Synonyms: | Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; |
Density: | 1.07 g/cm3 |
Melting Point: | 40-44 °C(lit.) |
Boiling Point: | 378.6 °C at 760 mmHg |
Flash Point: | 182.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 44.76000 |
LogP: | 2.16250 |
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The CAS registry number of Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester is 269410-00-6. The IUPAC name is ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. In addition, the molecular formula is C15H21BO4 and the molecular weight is 276.14. It belongs to the class of Heterocyclic Compounds.
Physical properties about Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 4; (3)Polar Surface Area: 44.76 Å2; (4)Index of Refraction: 1.497; (5)Molar Refractivity: 75.2 cm3; (6)Molar Volume: 256.9 cm3; (7)Polarizability: 29.81 ×10-24cm3; (8)Surface Tension: 35.1 dyne/cm; (9)Density: 1.07 g/cm3; (10)Flash Point: 182.8 °C; (11)Enthalpy of Vaporization: 62.65 kJ/mol; (12)Boiling Point: 378.6 °C at 760 mmHg; (13)Vapour Pressure: 6.21E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cc(B1OC(C)(C)C(O1)(C)C)ccc2
(2)InChI: InChI=1/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
(3)InChIKey: RQKGHIGGSFNVGW-UHFFFAOYAM