2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 65063
• Molecular Formular: C10H19BO3
• Molecular Mass: 198.06706
• Monoisotopic Mass: 198.14272487
• SMILES: C(=C\B1OC(C(O1)(C)C)(C)C)/OCC
• Canonical SMILES: CCO/C=C/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+
• InChIKey: MRAYNLYCQPAZJN-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-ethoxyethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: (E)-1-Ethoxyethene-2-boronic acid pinacol ester; (E)-2-(2-Ethoxyvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; (E)-2-Ethoxyvinylboronic acid pinacol ester; trans-2-Ethoxyvinylboronic acid pinacol ester; 2-[2-Ethoxyvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Ethoxyethenyl-1-boronic acid pinacol ester; [(Z)-2-Ethoxyethenyl]boronic acid, pinacol ester; 2-[(Z)-2-Ethoxyvinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(Z)-2-Ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; [(Z)-2-Ethoxyvinyl]boronic acid, pinacol ester; 2-乙氧基乙烯基-1-硼酸频哪酯

Database IDs

• CAS Number: 1201905-61-4; 219489-07-3
• MDL Number: MFCD09702441; MFCD09998813
• PubChem SID: 162030802
• PubChem CID: 21973908

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6406
• LogD (pH = 7.4): 2.6406
• Log P: 2.6406
• Molar Refractivity: 51.1986 cm^3
• Polarizability: 22.237833 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50°C/0.3mm; 50°C/0.3mm
• Flash Point: 186.8 °F; 86 °C
• Density: 0.935 g/mL at 25 °C
• Refractive Index: n20/D 1.447

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C10H19BO3

DETAILS

Sigma Aldrich - 731528

Packaging
1 g in glass bottle
500 mg in glass bottle