2-メチルチオフェン-3-ボロン酸

2-Methylthiophene-3-boronic acid

HCID 21884630CAS 177735-10-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1sccc1B(O)O
InChIKey: IOZXRAJFXAKLNI-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: 2-Methylthiophene-3-boronic acid
IUPAC: (2-methylthiophen-3-yl)boronic acid
現地名: 2-メチルチオフェン-3-ボロン酸
英語名: (2-Methylthiophen-3-yl)boronic acid
分子式: C5H7BO2S
分子量: 141.98

名称と別名

2-methylthiophene-3-boronic acidRefChem:476299846-800-0177735-10-3(2-Methylthiophen-3-yl)boronic acid2-methyl-3-thiopheneboronic acid(2-Methyl-3-thienyl)boronic acidMFCD12032042Boronic acid, B-(2-methyl-3-thienyl)-SCHEMBL577560DTXSID406194182-Methyl-thiophene-3-boronic acid

名称をさらに表示

2-メチルチオフェン-3-ボロン酸2-METHYLTHIOPHENE-3-BORONIC ACID(RS20016085)(2-Methylthiophen-3-yl)boronic acid (contains varying amounts of Anhydride)

GS-5788SY022596F11322A852395AKOS015892931DB-010480EN300-212541F215106

データベース識別子

CAS: 177735-10-3
PubChem CID: 21884630
DTXSID: DTXSID40619418
EC Number: 846-800-0

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

沸点: 299.5 · 299.5±42.0 °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,Sealed in dry,Store in freezer, under -20°C
酸解離定数(Pka): 8.33 · 8.33±0.58(Predicted)

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.

安全データ

hs_code: 2934999090

化学と産業

応用分野

使用2-Methylthiophene-3-boronic acid (cas# 177735-10-3) is used as a reagent in the preparation of functionalized heterocycles as antiviral agents.

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