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

• ChemBase ID: 143195
• Molecular Formular: C14H18BClO2
• Molecular Mass: 264.55552
• Monoisotopic Mass: 264.1088379
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/c1ccc(cc1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C/c1ccc(cc1)Cl
• InChI: InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+
• InChIKey: CQJXSSVRGHRVOK-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-[(1E)-2-(4-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane; trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester; 2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Chloro-beta-styrylboronic acid pinacol ester; 2-[2-(4-氯苯基)乙烯基]-4,4,5,5-四甲基-[1,3,2]二氧杂环戊硼烷; 反式-2-(4-氯苯基)乙烯基硼酸频哪醇酯; 4-氯-beta-苯乙烯基硼酸频哪醇酯

Database IDs

• CAS Number: 223919-54-8
• MDL Number: MFCD15144834
• PubChem SID: 162237416
• PubChem CID: 11021782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1538
• LogD (pH = 7.4): 5.1538
• Log P: 5.1538
• Molar Refractivity: 70.2944 cm^3
• Polarizability: 29.391737 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 88-92 °C

Safety Information

• German water hazard class: 1
• TSCA Listed: 否

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H18BClO2

DETAILS

Sigma Aldrich - 715514

Packaging
1 g in glass bottle