4-メチル-3-チオフェンボロン酸

4-Methyl-3-thiopheneboronic acid

HCID 5083931

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 177735-11-4
標準SMILES: Cc1cscc1B(O)O
InChIKey: LVPFZXKLROORIK-UHFFFAOYSA-N
分子式: C5H7BO2S
平均分子量: 141.99 g/mol
単同位体質量: 142.02598086

名称と識別子

優先名称: 4-Methyl-3-thiopheneboronic acid
IUPAC: (4-methylthiophen-3-yl)boronic acid
現地名: 4-メチル-3-チオフェンボロン酸
英語名: 4-Methyl-3-thiopheneboronic acid
分子式: C5H7BO2S
分子量: 141.98

名称と別名

4-Methyl-3-thiopheneboronic acid177735-11-4DTXSID30408156RefChem:525273DTXCID80359008846-629-1(4-methylthiophen-3-yl)boronic Acidboronic acid, b-(4-methyl-3-thienyl)-MFCD040398824-Methylthiophene-3-boronic acid(4-methyl-3-thienyl)boronic acid4-Methyl-3-thienylboronic acid

名称をさらに表示

4-メチル-3-チオフェンボロン酸4-Methyl-3-thiopheneboronicaci(4-Methylthien-3-yl)boronic acid4-Methyl-3-thiopheneboronic acid, 98%(4-Methylthiophen-3-yl)dihydroxyborane4-Methyl-3-thienylboronic acid (contains varying amounts of Anhydride)

4-methylthiophen-3-ylboronic acidBoronic acid, (4-methyl-3-thienyl)-SCHEMBL2005134-Methyl-3-thiopheneboronicacidLVPFZXKLROORIK-UHFFFAOYSA-N4-methyl-thiophene 3-boronic acid4-methyl-thiophene-3-boronic acid4-Methyl 3-thiophene boronic acid

データベース識別子

CAS: 177735-11-4
PubChem CID: 5083931
DTXSID: DTXSID30408156
EC Number: 846-629-1

物性

構造計算による物性

極性表面積: 68.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

融点: 138 · 138-144 °C(lit.)
沸点: 302.1 · 302.1±44.0 °C(Predicted)
比重(密度): 1.25 · 1.25±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): 8.33 · 8.33±0.58(Predicted)

化学的性質

化学的特性White to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.