N-플루오로벤젠설폰아마이드
N-Fluorobenzenesulfonimide
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기본 정보
- CAS
133745-75-2- 표준 SMILES
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1- InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N- 분자식
- C12H10FNO4S2
- 평균 분자량
- 315.3 g/mol
- 단동위원소 질량
- 315.00352831
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 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 88.3 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
화학 및 산업
응용 분야
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.
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