CAS 338454-45-8 5-Hydroxymethylthiophene-2-boronic acid (HCID 4374265)

基本情報

CAS: 338454-45-8
標準SMILES: OCc1ccc(B(O)O)s1
InChIKey: IVBZNXLSUVVBCY-UHFFFAOYSA-N
分子式: C5H7BO3S
平均分子量: 157.99 g/mol
単同位体質量: 158.0208954

名称と識別子

優先名称: 5-Hydroxymethylthiophene-2-boronic acid
IUPAC: [5-(hydroxymethyl)thiophen-2-yl]boronic acid
現地名: 5-ヒドロキシメチルチオフェン-2-ボロン酸
英語名: 5-Hydroxymethylthiophene-2-boronic acid
分子式: C5H7BO3S
分子量: 157.98

名称と別名

338454-45-85-HYDROXYMETHYLTHIOPHENE-2-BORONIC ACID(5-(Hydroxymethyl)thiophen-2-yl)boronic acid[5-(hydroxymethyl)thiophen-2-yl]boronic AcidMFCD030953705-(HYDROXYMETHYL)THIOPHEN-2-YLBORONIC ACID5-(Hydroxymethyl)thiophene-2-boronic acid[5-(HYDROXYMETHYL)-2-THIENYL]BORONIC ACIDAKOS006276373CS-W019041(5-(Hydroxymethyl)thiophen-2-yl)boronicacidBoronic acid, [5-(hydroxymethyl)-2-thienyl]-

名称をさらに表示

5-ヒドロキシメチルチオフェン-2-ボロン酸5-(hydroxymethyl)thiophen-2-yl]boronicaci5-(Hydroxymethyl)thiophene-2-boronic aicd5-(hydroxymethyl)thiophen-2-yl-2-boronic acid5-Hydroxymethylthiophene-2-boronic acid, >=98%Boronic acid, B-[5-(hydroxymethyl)-2-thienyl]-(5-(Hydroxymethyl)thiophen-2-yl)boronic acid(contains varying amounts of Anhydride)

5-Hydroxymethylthiophene-2-boronicAcidSCHEMBL177379DTXSID404025645-hydroxymethylthien-2-ylboronic acidAB13725AC-33476DS-12667SY033252

データベース識別子

CAS: 338454-45-8
PubChem CID: 4374265
DTXSID: DTXSID40402564

物性

構造計算による物性

極性表面積: 88.9 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 111

物理化学的性質

沸点: 399.9 · 399.9±52.0 °C(Predicted)
比重(密度): 1.42 · 1.42±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 8.42 · 8.42±0.53(Predicted)