Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester supplier

Name
ETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
EINECS
CAS No. 269410-00-6
Article Data17
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point 40-44 °C(lit.)
Formula C₁₅H₂₁BO₄
Boiling Point 378.6 °C at 760 mmHg
Molecular Weight 276.14
Flash Point 182.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;
PSA 44.76000
LogP 2.16250

Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester Specification

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

Product Name

ETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE

Benzoic acid,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester Specification

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