CAS 64443-05-6 tetrakis(acetonitrile)copper(I) hexafluorophosphate (HCID 11068737)

기본 정보

CAS: 64443-05-6
표준 SMILES: CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+]
InChIKey: GNQXUMGHBSAQBV-UHFFFAOYSA-N
분자식: C8H12CuF6N4P
평균 분자량: 372.72 g/mol

이름 및 식별자

우선 이름: tetrakis(acetonitrile)copper(I) hexafluorophosphate
IUPAC: tetrakis(acetonitrile);copper(1+);hexafluorophosphate
영어명: Tetrakis(acetonitrile)copper (I) hexafluorophosphate
분자식: C8H12CuF6N4P
분자량: 372.72

이름 및 동의어

Tetrakis(acetonitrile)copper(I) hexafluorophosphateRefChem:897252DTXCID901410263Copper(1+), tetrakis(acetonitrile), (T4), hexafluorophosphate(1)DTXSID7098301364443-05-6Tetrakis(acetonitrile)copper (I) hexafluorophosphateMFCD00064810[Cu(MeCN)4]PF6acetonitrile;copper(1+);hexafluorophosphateTetrakis(acetonitrile)copper hexafluorophosphateCopper(I) tetrakis(acetonitrile) hexafluorophosphate

이름 더 보기

[Cu(CH3CN)4]PF6tetrakis(acetonitrile)copper(I)acetonitrile,copper(1+),hexafluorophosphatetetrakis(acetonitrile)copper(I) hexa-fluorophosphe)copper(I) hexafLTetrakis(acetonitrile)copper(I)hexafluorophostetrakis(acetonitrile)copper hexa-fluorophosphTetrakis(acetonitrle)copper(I) HexafluorophosphateCuprous tetrakis(acetonitrile) hexafluorophosphate

SC10055Cu(MeCN)4PF6C8H12CuF6N4PSCHEMBL22557409BP-12586COPPER(I) TETRAKIS(ACETONITRILE) HEXAFLUOROPHOSPHATE;CUPROUS TETRAKIS(ACETONITRILE) HEXAFLUOROPHOSPHATE;TETRAKIS(ACETONITRILE)COPPER(I) HEXAFLUOROPHOSPHATESY010118F20411

데이터베이스 식별자

CAS: 64443-05-6
PubChem CID: 11068737
EC Number: 672-617-9

물성

구조 계산 물성

극성 표면적: 95.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 92

실험 및 물리화학적 성질

Chemical ClassesMetals -> Organic Compounds, Metal Salts

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 160 °C · 160 °C (dec.) (lit.)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
색상: 흰색에서 밝은 파란색까지
InChI: InChI=1S/4C2H3N.Cu.F6P/c4*1-2-3;;1-7(2,3,4,5)6/h4*1H3;;/q;;;;+1;-1
InChIKey: GNQXUMGHBSAQBV-UHFFFAOYSA-N
SMILES: [P-](F)(F)(F)(F)(F)F.C(#N)C.C(#N)C.C(#N)C.C(#N)C.[Cu+]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryDecomposed by water; An irritant; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Acetonitrile, Copper, and Hexafluorophosphoric acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2926907090
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

응용 분야 · 1건

용도Tetrakis(acetonitrile)copper(I) hexafluorophosphate can be employed as a catalyst for the synthesis of triazolo[1,2-a]indazole-1,3,8-trione and 2H-indazolo[2,1-b]phthalazine-trione derivatives by the reaction of aryl aldehydes, dimedone and urazole or phthalhydrazide, respectively. It can also be used as a copper precursor:For the formation of Cu2S/CdS nanorod junctions by cationic exchange process.To synthesize monometallic copper macrocyclic biquinazoline ligand [Cu(Mabiq)].To prepare the cuprous complex [Cu(2-iQBO)(POP)]PF6]; where 2-iQBO=2-(1′-isoquinolyl)benzoxazole and POP=bis[2-(diphenylphosphino)phenyl]ether, which can form luminescent pseudo-polymorphs.For the synthesis of [Cu(NHC)2]PF6 complexes [(NHC = N-heterocyclic carbene] which can be further used in the hydrosilylation of carbonyl compounds.