CAS 133745-75-2 N-Fluorobenzenesulfonimide (HCID 588007)

名称と識別子

優先名称: N-Fluorobenzenesulfonimide
IUPAC: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
現地名: N-フルオロベンゼンスルホンイミド
英語名: N-Fluorobenzenesulfonimide
分子式: C12H10FNO4S2
分子量: 315.34

名称と別名

N-Fluorobenzenesulfonimide133745-75-2N-Fluoro-N-(phenylsulfonyl)benzenesulfonamideNFSIACCUFLUOR NFSINFBS(Phso2)2NFBENZENESULFONAMIDE, N-FLUORO-N-(PHENYLSULFONYL)-38TGL3A00IDTXSID10343177RefChem:830032DTXCID70294257

名称をさらに表示

N-フルオロベンゼンスルホンイミドN-フルオロベンゼンスルホンアミドN-フルオロビス(フェニルスルホニル)アミンN‐フルオロジベンゼンスルホンイミドN-フルオロベンゼンスルホンイミド, 97%フルオロジ(フェニルスルホニル)アミンN-フルオロジ(フェニルスルホニル)アミンビス(フェニルスルホニル)(フルオロ)アミン(フルオロイミノ)ビス(フェニルスルホン)N,N-ビス(フェニルスルホニル)フルオロアミンN-(ベンゼンスルホニル)-N-フルオロベンゼンスルホンアミドN-フルオロ-N,N-ビス(フェニルスルホニル)アミンN-フェニルスルホニル-N-フルオロベンゼンスルホンアミドビス(フェニルスルホニル)フルオロアミン[(フルオロイミノ)ビススルホニル]ビスベンゼンジ(フェニルスルホニル)フルオロアミンN-フルオロ-N-(フェニルスルホニル)ベンゼンスルホンアミドビス(フェニルスルホニル)アミノフルオリドビス(ベンゼンスルホニル)(フルオロ)アザンフルオロイミノビス(フェニルスルホン)N-FLUOROBENZENESULFONAMIDEN-FluorobenzenesulfonmideN-fluorobisbenzenesulfonamideN-(benzenesulfonyl)-S-phenylfluoranesulfonamido

431-940-3603-762-8N-Fluorodibenzenesulfonimiden-fluorobenzenesulphonimidebis(phenylsulfonyl)fluoroamineN-(benzenesulfonyl)-N-fluorobenzenesulfonamideN-Fluorobis(phenylsulfonyl)amineMFCD00144885

データベース識別子

CAS: 133745-75-2
PubChem CID: 588007
DTXSID: DTXSID10343177
ChEMBL: CHEMBL1338788
UNII: 38TGL3A00I
EC Number: 431-940-3、603-762-8
Nikkaji: J456.242I

物性

構造計算による物性

XLogP: 2.6
極性表面積: 88.3 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 461

物理化学的性質

融点: 114 · 114-116 °C
沸点: 471.4 · 471.4±28.0 °C(Predicted)
比重(密度): 1.4466 · 1.4466 (estimate)
闪点: 110 ℃ · 110℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: アセトニトリル、ジクロロメタン、テトラヒドロフランに易溶、トルエンに難溶。
外見: 個体
酸解離定数(Pka): -32.45 · -32.45±0.70(Predicted)
色: 白い
BRN: 5348902 · 5348902
InChI: InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
InChIKey: RLKHFSNWQCZBDC-UHFFFAOYSA-N
SMILES: C1(S(N(F)S(C2=CC=CC=C2)(=O)=O)(=O)=O)=CC=CC=C1
CAS データベース: 133745 · 133745-75-2(CAS DataBase Reference)

化学的性質

化学的特性Off-white to light brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.2%): 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 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.；There are 11 notifications provided by 51 of 52 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 件

Status: Active Update: 23-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/10371

Benzenesulfonamide, N-fluoro-N-(phenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Skin Irrit. 2 (96.2%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (94.2%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 23-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/10371

Benzenesulfonamide, N-fluoro-N-(phenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10
wgk: 3
tsca: No
hs_code: 29242990
risk_code: 36/37/38
安衛法: 変異原性物質
hazard_code: Xi,O
hazard_note: Oxidising Agent
safety_code: 26-37/39
hazard_class: IRRITANT
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 · 3 件

用途データなし

使用N-Fluorobenzenesulfonimide fluorinates aromatics, enolates, azaenolates and carbanions in high yield. It is used for diastereoselective fluorination of Li enolates of chiral carboximides, for directed fluorination of ortho-lithiated aromatics and for a review of electrophilic N-F fluorinating agents. Asymmteric fluorinations is effected in the presence of a Pd-BINAP catalyst system at room temperature in an ionic liquid. It is a reagent employed in a palladium-catalyzed enantioselective fluorination of t-butoxycarbonyl lactones and lactams. It is also used in the electrophilic difluorination of dihalopyridines with butyl lithium and in the direct conversion of alcohols to dibenzenesulfonamides with triphenylphosphine.

一般的な説明N-Fluorobenzenesulfonimide (NFSi) is a commonly used electrophilic fluorinating agent in organic synthesis to introduce fluorine into neutral organic molecules. It is also used to fluorinate nucleophilic substrates such as reactive organometallic species and malonate anions.NFSi can be synthesized by the reaction of benzenesulfonimide with fluorine.