1-(클로로-1-피롤리디닐메틸렌)피롤리디늄헥사플루오로포스페이트

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate

HCID 2736652

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135540-11-3
표준 SMILES: ClC(N1CCCC1)=[N+]1CCCC1.F[P-](F)(F)(F)(F)F
InChIKey: NHEGCUSBUWGOQM-UHFFFAOYSA-N
분자식: C9H16ClF6N2P
평균 분자량: 332.65 g/mol
단동위원소 질량: 332.06438214

이름 및 식별자

우선 이름: 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate
IUPAC: 1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine hexafluorophosphate
현지명: 1-(클로로-1-피롤리디닐메틸렌)피롤리디늄헥사플루오로포스페이트
영어명: 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate
분자식: C9H16ClF6N2P
분자량: 332.66

이름 및 동의어

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium HexafluorophosphateRefChem:427438626-993-6135540-11-3PyClUChlorodipyrrolidinocarbenium hexafluorophosphate1-(Chloro(pyrrolidin-1-yl)methylene)pyrrolidin-1-ium hexafluorophosphate(V)MFCD00191333Chloro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphateAS-110841-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine;hexafluorophosphateN,N,N',N'-Bis(tetramethylene)chloroformamidinium hexafluorophosphate

이름 더 보기

1-(클로로-1-피롤리디닐메틸렌)피롤리디늄헥사플루오로포스페이트PyCIUN,N,N,N-bis(N,N,N,N-bis(tetramethylene)*chloroformamidinium1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium1-(Chloro-1-pyrrolidinylmethylene)pyrrolidiniumhechloro-n,n,n’,n’-bis(tetramethylene)formamidiniumpf6Chlorodipyrrolidinocarbenium hexafluorophosphate(PyCIU)

PYCIU, Chlorodipyrrolidinocarbenium hexafluorophosphate1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine hexafluorophosphatechloro-dipyrrolidinocarbenium hexafluorophosphatePyClU ChlorodipyrrolidinocarbeniuM hexafluorophosphateSCHEMBL20578267SCHEMBL31616476DTXSID80371508AKOS015901338

데이터베이스 식별자

CAS: 135540-11-3
PubChem CID: 2736652
DTXSID: DTXSID80371508
EC Number: 626-993-6

물성

구조 계산 물성

극성 표면적: 6.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 153 · 153-156 °C
저장 조건: 2 · 2-8°C
용해도: almost transparency in Acetonitrile
물리적 상태: 분말 또는 고체
색상: 흰색에서 황백색까지
BRN: 7898575 · 7898575
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1
InChIKey: NHEGCUSBUWGOQM-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+]1/CCCC/1)(/N1CCCC1)\Cl

화학적 성질

White solid

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
F 고인화성물질: 8-10-21
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant for: Enantioselective desymmetrization of meso-asiridines Peptide couplingReagent for: Heterocyclization of chloroformamidinium salts Oxidative insertion for palladium and nickel catalyst synthesis