N-Fluorobenzenesulfonimide (HCID 588007)

이름 및 식별자

우선 이름: N-Fluorobenzenesulfonimide
IUPAC: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
현지명: N-플루오로벤젠설폰아마이드
영어명: N-Fluorobenzenesulfonimide
분자식: C12H10FNO4S2
분자량: 315.34

이름 및 동의어

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

이름 더 보기

N-플루오로벤젠설폰아마이드N-플루오로비스(페닐설폰일)아민N-FLUOROBENZENESULFONAMIDEN-FluorobenzenesulfonmideN-fluorobisbenzenesulfonamideN-(benzenesulfonyl)-S-phenylfluoranesulfonamido

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 461

물리화학적 성질

녹는점: 114 · 114-116 °C
끓는 점: 471.4 · 471.4±28.0 °C(Predicted)
밀도: 1.4466 · 1.4466 (estimate)
인화점: 110 ℃ · 110℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 아세토니트릴, 디클로로메탄 또는 THF에 매우 잘 녹고 톨루엔에는 잘 녹지 않습니다.
물리적 상태: 고체
산도 계수 (pKa): -32.45 · -32.45±0.70(Predicted)
색상: 하얀색
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

화학적 성질

Off-white to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 2건

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 · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk: 3
tsca: No
HS 번호: 29242990
risk_code: 36/37/38
hazard_code: Xi,O
safety_code: 26-37/39
위험 등급: IRRITANT
F 고인화성물질: 10
위험 참고 사항: Oxidising Agent
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도N-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.

일반 설명N-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.