CAS 463335-96-8 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (HCID 22180788)

基本情報

CAS: 463335-96-8
標準SMILES: CC1(C)OB(c2cc(F)ccc2C#N)OC1(C)C
InChIKey: ZULLJYIMHRJPQA-UHFFFAOYSA-N
分子式: C13H15BFNO2
平均分子量: 247.07 g/mol
単同位体質量: 247.117987

名称と識別子

優先名称: 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC: 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
現地名: 4-フルオロ-2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ベンゾニトリル
英語名: 2-Cyano-5-fluorophenylboronic acid pinacol ester
分子式: C13H15BFNO2
分子量: 247.07

名称と別名

463335-96-84-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID40623313RefChem:292755DTXCID30574067970-497-52-CYANO-5-FLUOROPHENYLBORONIC ACID PINACOL ESTERMFCD098785402-Cyano-5-fluorophenylboronic acid, pinacol esterSCHEMBL2645798SCHEMBL29929462ZULLJYIMHRJPQA-UHFFFAOYSA-N

名称をさらに表示

4-フルオロ-2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ベンゾニトリル2-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben

4-fluoro-2-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-benzonitrileAKOS015842127AB53941BENZONITRILE, 4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-NCGC00662950-01AS-47613DB-364995CS-0135365

データベース識別子

CAS: 463335-96-8
PubChem CID: 22180788

物性

構造計算による物性

極性表面積: 42.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 360

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.