ビス(ピリジン)ヨードニウムテトラフルオロボラート

Bis(pyridine)iodonium tetrafluoroborate

HCID 10883201CAS 15656-28-7

部分構造検索類似構造を探す

基本情報

標準SMILES: F[B-](F)(F)F.[IH2+].c1ccncc1.c1ccncc1
InChIKey: WVXJCTSZJWIBQT-UHFFFAOYSA-N
分子式: C10H12BF4IN2
平均分子量: 373.93 g/mol
単同位体質量: 374.00744

名称と識別子

優先名称: Bis(pyridine)iodonium tetrafluoroborate
IUPAC: iodanium;bis(pyridine);tetrafluoroborate
現地名: ビス(ピリジン)ヨードニウムテトラフルオロボラート
英語名: Bis(pyridine)iodonium tetrafluoroborate
分子式: C10H10BF4IN2
分子量: 371.91

名称と別名

Bis(pyridine)iodonium tetrafluoroborate15656-28-7DTXSID50447027Barluenga reagentBis(pyridine)iodinium tetrafluoroborateBis(pyridine)iodine(I) tetrafluoroborateRefChem:569268Bis(pyridine)iodonium tetrafluoroborate [MI]DTXCID2039784896046808SX628-405-3Iodine(1+), bis(pyridine)-, tetrafluoroborate(1-) (1:1)

名称をさらに表示

テトラフルオロほう酸ビス(ピリジン)ヨードニウムビス(ピリジン)ヨードニウムテトラフルオロボラートBarluenga試薬BarluengasBARLUENGA'S REAGENTSKL215iodaniumBarluengaReagentIpy2Bf4Barluenga’S Reagent Ipy2Bf4iodonium pyridine tetrafluoroborateIodanium pyridine tetrafluoroborate

MFCD03703393iodanium;pyridine;tetrafluoroborateBis(pyridine)iodonium tetrafluoroborate [Barluenga's Reagent]IPy2BF4SCHEMBL756401C10H10BF4IN2C10H12BF4IN2SCHEMBL4590747

データベース識別子

CAS: 15656-28-7
PubChem CID: 10883201
DTXSID: DTXSID50447027
EC Number: 628-405-3

物性

構造計算による物性

極性表面積: 25.8 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 18
形式電荷: 0
複雑度: 50

物理化学的性質

融点: 137 · 137-141 °C (lit.)
貯蔵温度: 2 · 2-8°C
溶解性: 2 Cl2, · sol CH2Cl2, DMSO, MeCN, pyridine, DMF; modestly sol CHCl3; insol ether, THF, hexane
外見: 粉
色: 黄色
水溶解度: 水中で加水分解します。
Merck: 14 · 14,1302
BRN: 4284739 · 4284739
InChI: 1S/2C5H5N.BF4.I/c2*1-2-4-6-5-3-1;2-1(3,4)5;/h2*1-5H;;/q;;-1;+1
InChIKey: JBVUIHBKNVHCKK-UHFFFAOYSA-N
SMILES: [I+].F[B-](F)(F)F.c1ccncc1.c2ccncc2
CAS データベース: 15656 · 15656-28-7(CAS DataBase Reference)

化学的性質

化学的特性Yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
ridadr: 1759
PRTR法: 第一種指定化学物質
hs_code: 29333990
risk_code: 36/37/38
安衛法: 57,57-2
hazard_code: Xi,T
hazard_note: Toxic/Irritant
safety_code: 26-36-37/39
hazard_class: MOISTURE SENSITIVE, KEEP COLD, LIGHT SENSITIVE
packing_group: II
毒劇物取締法: 劇物
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

説明Bis(pyridine)iodonium tetrafluoroborate is iodinating agent for the selective functionalization of unsaturated compounds; can also mediate C-C bond formation.

使用Bis(pyridine)iodonium tetrafluoroborate is used as mild iodinating and oxidizing reagent. It is also useful for selective iodination of free phenolic groups in tyrosine residues during solid-phase synthesis.