4,4,5,5-Tetramethyl-2-(pentafluorophenyl)-1,3,2-dioxaborolane

HCID 23065713CAS 325142-81-2

基本情報

標準SMILES: CC1(C)OB(c2c(F)c(F)c(F)c(F)c2F)OC1(C)C
InChIKey: FTJVUPKSBLYGSY-UHFFFAOYSA-N
分子式: C12H12BF5O2
平均分子量: 294.03 g/mol
単同位体質量: 294.08505112

名称と識別子

優先名称: 4,4,5,5-Tetramethyl-2-(pentafluorophenyl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane
英語名: 4,4,5,5-Tetramethyl-2-(perfluorophenyl)-1,3,2-dioxaborolane
分子式: C12H12BF5O2
分子量: 294.03

名称と別名

325142-81-2DTXSID006301644,4,5,5-TETRAMETHYL-2-(PENTAFLUOROPHENYL)-1,3,2-DIOXABOROLANERefChem:284845DTXCID805809164,4,5,5-TETRAMETHYL-2-(PERFLUOROPHENYL)-1,3,2-DIOXABOROLANEPERFLUOROPHENYLBORONIC ACID, PINACOL ESTERMFCD124053524,4,5,5-TETRAMETHYL-2-(2,3,4,5,6-PENTAFLUOROPHENYL)-1,3,2-DIOXABOROLANESCHEMBL1842294455-Tetramethyl-2-(perfluorophenyl)-132-dioxaborolanePerfluorophenylboronic acid,pinacol ester

名称をさらに表示

2,3,4,5,6-Pentafluorobenzeneboronic acid pinacol ester2,3,4,5,6-Pentafluorobenzeneboronic acid pinacol ester, 96%4,4,5,5-Tetramethyl-2-(perfluorophenyl)-1,3,2-dioxaborolaner1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-

DTXSID006301C12H12BF5O2AKOS016000991AT41308MB11848Perfluorophenylbornic acid, pinacol esterPerfluorophenylboronic Acid Pinacol EsterBS-28263

データベース識別子

CAS: 325142-81-2
PubChem CID: 23065713
DTXSID: DTXSID00630164
Nikkaji: J3.434.752B

物性

構造計算による物性

極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 20
形式電荷: 0
複雑度: 349

物理化学的性質

融点: 35 · 35-36℃
沸点: 66 ℃/0.4mm · 66℃/0.4mm
比重(密度): 1.28 · 1.28±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
InChI: InChI=1S/C12H12BF5O2/c1-11(2)12(3,4)20-13(19-11)5-6(14)8(16)10(18)9(17)7(5)15/h1-4H3
InChIKey: FTJVUPKSBLYGSY-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1=C(F)C(F)=C(F)C(F)=C1F

安全と法規制

安全データ

hs_code: 2931900090

化学と産業

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