CAS 240139-82-6 2-Methoxy-5-(trifluoromethyl)phenylboronic acid (HCID 2782676)

基本情報

CAS: 240139-82-6
標準SMILES: COc1ccc(C(F)(F)F)cc1B(O)O
InChIKey: PXDQUMRSSQYJSX-UHFFFAOYSA-N
分子式: C8H8BF3O3
平均分子量: 219.96 g/mol
単同位体質量: 220.05185918

名称と識別子

優先名称: 2-Methoxy-5-(trifluoromethyl)phenylboronic acid
IUPAC: [2-methoxy-5-(trifluoromethyl)phenyl]boronic acid
現地名: 2‐メトキシ‐5‐(トリフルオロメチル)フェニルボロン酸
英語名: 2-Methoxy-5-trifluoromethylphenylboronic acid
分子式: C8H8BF3O3
分子量: 219.95

名称と別名

240139-82-62-METHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID2-Methoxy-5-(trifluoromethyl)benzeneboronic acid[2-methoxy-5-(trifluoromethyl)phenyl]boronic AcidMFCD04039222(2-Methoxy-5-trifluoromethylphenyl)boronic acid(2-Methoxy-5-(trifluoromethyl)phenyl)boronic acidSCHEMBL319585SCHEMBL29588618DTXSID50382207SBB052533

名称をさらに表示

2‐メトキシ‐5‐(トリフルオロメチル)フェニルボロン酸2-メトキシ-5-(トリフルオロメチル)フェニルボロン酸AKOS BRN-01942-Methoxy-5-(trifL3-Borono-4-methoxybenzotrifluoride5-(trifluoroMethyl)-2-Methoxyphenylboronic acidB-[2-Methoxy-5-(trifluoromethyl)phenyl]boronic acidBoronic acid,B-[2-Methoxy-5-(trifluoroMethyl)phenyl]-

AKOS004116395AB17317CS-W014758AS-17803SY019772DB-0104612-methoxy-5-trifluoromethyl-phenylboronic acid2-methoxy-5-trifluoromethylbenzeneboronic acid

データベース識別子

CAS: 240139-82-6
PubChem CID: 2782676
DTXSID: DTXSID50382207
EC Number: 691-961-0

物性

構造計算による物性

極性表面積: 49.7 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 210

物理化学的性質

融点: 144 · 144-148℃
沸点: 325.4 · 325.4±52.0 °C(Predicted)
比重(密度): 1.36 · 1.36±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 7.57 · 7.57±0.58(Predicted)
色: White

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.