CAS 357274-85-2 (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid (HCID 2782677)

基本情報

CAS: 357274-85-2
標準SMILES: C=C(B(O)O)C(F)(F)F
InChIKey: POVDLRLOSUDCMI-UHFFFAOYSA-N
分子式: C3H4BF3O2
平均分子量: 139.87 g/mol
単同位体質量: 140.02564443

名称と識別子

優先名称: (3,3,3-Trifluoroprop-1-en-2-yl)boronic acid
IUPAC: 3,3,3-trifluoroprop-1-en-2-ylboronic acid
英語名: alpha-(Trifluoromethyl)ethenyl boronic acid
分子式: C3H4BF3O2
分子量: 139.87

名称と別名

357274-85-2(3,3,3-Trifluoroprop-1-en-2-yl)boronic acid3,3,3-trifluoroprop-1-en-2-ylboronic AcidALPHA-(TRIFLUOROMETHYL)ETHENYL BORONIC ACID[1-(trifluoromethyl)vinyl]boronic acid1-(TRIFLUOROMETHYL)VINYLBORONIC ACIDC3H4BF3O2Boronic acid, [1-(trifluoromethyl)ethenyl]-3,3,3-trifluoroprop-1-en-2-yl boronic acidBoronic acid,B-[1-(trifluoromethyl)ethenyl]-SCHEMBL539841DTXSID10382208

名称をさらに表示

A-(TrifluoroMethyl)Ethenyl Boronic AcidBoronic acid, B-[1-(trifluoromethyl)ethenyl]-(3,3,3-TRIFLUOROPROP-1-EN-2-YL)BORONIC ACID(WXFC0415)

AKOS006229294AB15473[1-(trifluoromethyl) vinyl]boronic acidDB-069257CS-0451654EN300-209634(3,3,3-trifluoroprop-1-en-2-yl)-boronic acid[1-(TRIFLUOROMETHYL)ETHENYL]-BORONIC ACID

データベース識別子

CAS: 357274-85-2
PubChem CID: 2782677
DTXSID: DTXSID10382208
Nikkaji: J1.520.551B

物性

構造計算による物性

極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 191.2 · 191.2±50.0 °C(Predicted)
比重(密度): 1.315 · 1.315±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.31 · 7.31±0.43(Predicted)

安全と法規制

安全データ

hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野

使用(3,3,3-Trifluoroprop-1-en-2-yl)boronic Acid is used in catalytic enantioselective synthesis of Heterocyclic vicinal Fluoroamines using asymmetric protonation.