Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate

HCID 16211753

노트 반응

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기본 정보

CAS: 133894-48-1
표준 SMILES: Cl[P+](N1CCCC1)(N1CCCC1)N1CCCC1.F[P-](F)(F)(F)(F)F
InChIKey: BSCYRXJVGSZNKX-UHFFFAOYSA-N
분자식: C12H24ClF6N3P2
평균 분자량: 421.73 g/mol
단동위원소 질량: 421.10381803

이름 및 식별자

우선 이름: Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate
IUPAC: chloro(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
영어명: Chlorotripyrrolidinophosphonium hexafluorophosphate
분자식: C12H24ClF6N3P2
분자량: 421.73

이름 및 동의어

Chlorotripyrrolidinophosphonium hexafluorophosphateChlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphateRefChem:575968Phosphonium, (2-oxoethyl)triphenyl-, chloride628-539-2133894-48-1PyCloPMFCD00210035chloro(tripyrrolidin-1-yl)phosphanium;hexafluorophosphatechloro(tripyrrolidin-1-yl)phosphonium;hexafluorophosphateC12H24ClF6N3P2(T-4)chlorotri-1-pyrrolidinylphosphorus(1+) Hexafluorophosphate(1-); Pyrrolidine, Phosphorus Complex; PyCloP; Tris(1-pyrrolidino)chloroimidazolium Hexafluorophosphate

이름 더 보기

PYCIOPREF DUPL: PyClOPChlorotripyrrolidinoChlorotripyrrolidinopChlorotripyrrolidinophosphoniumChlorotriphenylalkyl hexafluorophosphateChlorotripyrrolidinophosphoniumhexafluorophosphatChlorotriphyrrolidinyl hexafluorophosphate (PYCLOP)

SCHEMBL21541645DTXSID30583477BSCYRXJVGSZNKX-UHFFFAOYSA-Nchlorotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)AC2231AKOS015833809FP15668AS-17610

데이터베이스 식별자

CAS: 133894-48-1、62942-43-2
PubChem CID: 16211753
DTXSID: DTXSID30583477
EC Number: 628-539-2

물성

구조 계산 물성

극성 표면적: 9.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 280

물리화학적 성질

녹는점: 145 · 145-148°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에서 노란색으로
BRN: 6842341 · 6842341
주요 응용: 펩타이드 합성
InChI: InChI=1S/C12H24ClN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKey: BSCYRXJVGSZNKX-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): 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

Regulatory InformationChlorotripyrrolidinophosphonium hexafluorophosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
HS 번호: 29339900
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-45-36/37/39
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

제조 방법 · 1건

Preparation of chlorotripyrrolidinophosphonium hexafluorophosphate: addition of chlorine to a diethyl ether solution of tripyrrolidinophosphine, then addition of KPF6 in water. Addition of tripyrrolidinophosphine oxide to a DCM solution of phosphoryl trichloride, then addition of KPF6 in water.