CAS 165324-09-4 1,1,1-trifluoro-N-trifluoromethanesulfonyl-N-((N-trifluoromethanesulfonyltrifluoromethanesulfonamido)calcio)methanesulfonamide (HCID 46242197)

기본 정보

CAS: 165324-09-4
표준 SMILES: O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Ca+2]
InChIKey: JPJPXXQEQAOFDN-UHFFFAOYSA-N
분자식: C4CaF12N2O8S4
평균 분자량: 600.4 g/mol
단동위원소 질량: 599.7971785

이름 및 식별자

우선 이름: 1,1,1-trifluoro-N-trifluoromethanesulfonyl-N-((N-trifluoromethanesulfonyltrifluoromethanesulfonamido)calcio)methanesulfonamide
IUPAC: calcium bis(bis(trifluoromethylsulfonyl)azanide)
현지명: 칼슘비스(트리플루오로메틸술포닐)이미드
영어명: CalciuM bis(trifluoroMethylsulfonyl)iMide
분자식: C2H3CaF6NO4S2
분자량: 323.24

이름 및 동의어

165324-09-41,1,1-trifluoro-N-trifluoromethanesulfonyl-N-((N-trifluoromethanesulfonyltrifluoromethanesulfonamido)calcio)methanesulfonamide1,1,1-TRIFLUORO-N-TRIFLUOROMETHANESULFONYL-N-[(N-TRIFLUOROMETHANESULFONYLTRIFLUOROMETHANESULFONAMIDO)CALCIO]METHANESULFONAMIDERefChem:409492694-691-1Calcium(II) Bis(trifluoromethanesulfonyl)imideCalcium bis(trifluoromethylsulfonyl)imidecalcium;bis(trifluoromethylsulfonyl)azanideCalcium(II) bis(trifluoromethanesulfonimide)MFCD14156019Calcium(II) TriflimideCalcium(II) Bis(trifluoromethanesulfonyl)imide 99.5%

이름 더 보기

칼슘비스(트리플루오로메틸술포닐)이미드Ca(NTf2)2Ca(bis(triflimide))2Calcium bis-(trifluoromethanesulfonimide)

Calcium triflimideCalcium bis((trifluoromethyl)sulfonyl)amideCalcium(II)Bis(trifluoromethanesulfonyl)imideEN300-20787115Bis(trifluoromethanesulfonyl)imide Calcium(II) SaltCalcium Bis[(trifluoromethyl)sulfonyl]amideCalcium trifluoromethanesulfonimideC4CaF12N2O8S4

물성

구조 계산 물성

극성 표면적: 172 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 22
회전 가능 결합 수: 4
무거운 원자 수: 31
형식 전하: 0
복잡도: 374

물리화학적 성질

녹는점: 300 ℃ · >300℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 하얀색
수용성: 물에 불용성.
안정성: 흡습성
주요 응용: 배터리 제조
InChI: InChI=1S/C2HF6NO4S2.Ca.2H/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h9H;;;
InChIKey: JPJPXXQEQAOFDN-UHFFFAOYSA-N
SMILES: S(=O)(=O)(C(F)(F)F)NS(=O)(=O)C(F)(F)F.[Ca]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

안전 데이터

wgk: 3
ridadr: UN 1759 8 / PGII
HS 번호: 2935.90.9500
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Calcium(II) Bis(trifluoromethanesulfonyl)imide (CAS# 165324-09-4) is a catalyst used in the regioselective synthesis of diaryl alkanes by hydroarylation of styrenes with arenes in hexafluoroisopropanol, and in the [3+2]-cycloaddion and cycloisomerization reactions of tertiary propargyl alcohols with acyclic 1,3-diketones.