Phenyl triflimide

PhNTf2 · PHENYL TRIFLIMIDE · N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE) · N,N-BIS(TRIFLUOROMETHYLSULFONYL)ANILINE · 1,1,1-trifluoro-N-phenyl-N-trifluoromethanesulfonylmethanesulfonamide · N-PHENYLTRIFLUOROMETHANESULFONIMIDE · N-PHENYLBIS(TRIFLUOROMETHANESULPHONIMIDE) · phenyltrifluoromethanesulfonimide

https://huagongshe.com/ko/chemical/142176

식별자 및 물리적 특성

CAS No.	37595-74-7
분자식	C8H5F6NO4S2
평균 분자량	357.3 g/mol
단동위원소 질량	356.95641896 g/mol
SMILES	O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIKey	DIOHEXPTUTVCNX-UHFFFAOYSA-N
PubChem CID	142176
EC No.	609-445-0
DTXSID	DTXSID70191030

화학 및 물리적 성질

XLogP	3.1
극성 표면적	88.3
수소 결합 공여자 수	0
수소 결합 수용자 수	11
회전 가능 결합 수	3
무거운 원자 수	21
형식 전하	0
복잡도	518
PFAS	PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
녹는점	100-102 °C(lit.)
끓는 점	305.3±52.0 °C(Predicted)
밀도	1.766±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올에 용해됩니다. 클로로포름과 에틸 아세테이트에 약간 용해됩니다.
물리적 상태	결정 또는 결정성 분말
pKa(산도 계수)	-13.12±0.50(Predicted)
색상	흰색 또는 무색
BRN	1269141
안정성	수분에 민감한
InChI	InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
InChIKey	DIOHEXPTUTVCNX-UHFFFAOYSA-N
SMILES	C(F)(F)(F)S(N(C1=CC=CC=C1)S(C(F)(F)F)(=O)=O)(=O)=O
NIST	N-phenyltrifluoromethanesulfonimide(37595-74-7)

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 17-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16472
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	No
관세 코드	29242100
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
F 고인화성물질	21
저장 분류	11 - Combustible Solids

용도

제약 중간체

개요

N-Phenylbis(trifluoromethanesulfonimide) acts as a mild triflating reagent as well as a transparent strong electron-withdrawing p-type dopant in carbon nanotubes. It is also employed as a reactant for the preparation of amphoteric alfa-boryl aldehydes. It plays an important role in the enantioselective synthesis of the core ring skeleton of leucosceptroids A-D and in steroselective sulfoxidation.