エチルジフェニルスルホニウム

(Diethylamino)(difluoro)sulfanium tetrafluoroborate

HCID 44517918

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 63517-29-3
標準SMILES: CCN(CC)[S+](F)F.F[B-](F)(F)F
InChIKey: YLNKFQWRRIXZPJ-UHFFFAOYSA-N
分子式: C4H10BF6NS
平均分子量: 228.998 g/mol
単同位体質量: 229.05312004

名称と識別子

優先名称: (Diethylamino)(difluoro)sulfanium tetrafluoroborate
IUPAC: (Diethylamino)(difluoro)sulfanium tetrafluoridoborate(1-)
現地名: エチルジフェニルスルホニウム
英語名: XtalFluor-E
分子式: C4H10BF6NS
分子量: 228.9953192

名称と別名

[(ジメチルアミノ)[(2-オキソ-1,2-ジヒドロピリジン-1-イル)オキシ]メチリデン]ジメチルアザニウムエチルジフェニルスルホニウムエチルジフェニルスルファニウムジフェニルエチルスルホニウム2-(メトキシカルボニル)チオフェン-3-ジアゾニウム1,1,3,3-テトラメチル-2-[2-オキソピリジン-1(2H)-イル]ウロニウムDiethylaMinodifluorosulfiniuM tetrafluoroborate(Diethylamino)difluorosulfonium tetrafluoroboratetetrafluoroboranuide1-fluoro-2,4,6-trimethylpyridin-1-iumtriethylphosphaniumDAST difluorosulfinium salt

名称をさらに表示

3,5-dichloro-1-fluoropyridin-1-iumdiethylamino(difluoro)sulfanium,tetrafluoroborateN,N-Diethylamino-S,S-difluorosulfinium tetrafluoroborateXtalfiuor-E

データベース識別子

CAS: 63517-29-3
PubChem CID: 44517918
DTXSID: DTXSID50659249
EC Number: 687-130-7

物性

構造計算による物性

極性表面積: 4.2 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 75

物理化学的性質

融点: 84 · 84-87℃
貯蔵温度: -20 °C · -20°C
外見: solid
InChI: InChI=1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
InChIKey: YLNKFQWRRIXZPJ-UHFFFAOYSA-N
SMILES: S(F)(F)=[N+](CC)CC.[B-](F)(F)(F)F

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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 CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)

安全データ

wgk: 3
ridadr: UN 2923 8/PG 3
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8, 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

使用XtalFluor-E can be used as convenient crystalline highly chemoselective deoxofluorination reagent with a broad substrate scopeDeoxofluorination reagent with a better safety profile.

使用XtalFluor-E [(F2SNEt2)BF4] is an efficient coupling reagent for amidation of carboxylic acids with amines under mild conditions (THF, 0°C to room temperature) and easy workup (Na2CO3, H2O). XtalFluor-E was further applied in peptide synthesis, producing dipeptides with excellent diastereomeric excess. The study concludes that XtalFluor-E is a versatile and mild reagent for amide bond formation, offering high efficiency and substrate compatibility without compromising optical integrity.[3]