CAS 1035235-29-0 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (HCID 44755210)

基本情報

CAS: 1035235-29-0
標準SMILES: CC1(C)OB(c2ccc(C#N)cc2F)OC1(C)C
InChIKey: FEUINZSEHIJUBU-UHFFFAOYSA-N
分子式: C13H15BFNO2
平均分子量: 247.07 g/mol
単同位体質量: 247.11798734

名称と識別子

優先名称: 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
IUPAC: 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
英語名: 4-Cyano-2-fluorobenzeneboronic acid, pinacol ester
分子式: C13H15BFNO2
分子量: 247.0731032

名称と別名

1035235-29-03-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID10660654RefChem:501708DTXCID50611403690-897-04-Cyano-2-fluorophenylboronic acid pinacol ester4-CYANO-2-FLUOROPHENYLBORONIC ACID, PINACOL ESTERMFCD099981624-Cyano-2-fluorobenzeneboronic acid, pinacol esterSCHEMBL156525

名称をさらに表示

3-Fluoro-4-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)benzonitrile

MB08382Z17419808724-Cyano-2-fluorophenylboronic acid pinacol ester, AldrichCPR4-Cyano-2-fluorophenylboronicAcidPinacolEsterFT-0697216A896428SCHEMBL293581854-Cyano-2-fluorophenylboronic ac

データベース識別子

CAS: 1035235-29-0
PubChem CID: 44755210
DTXSID: DTXSID10660654
EC Number: 690-897-0

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: Store at Room Tem.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.