Bis(1,2-bis(diphenylphosphino)ethane)palladium(0)

HCID 2724231

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31277-98-2
표준 SMILES: [Pd].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIKey: FAFGMAGIYHHRKN-UHFFFAOYSA-N
분자식: C52H48P4Pd
평균 분자량: 903.2 g/mol
단동위원소 질량: 902.17413406

이름 및 식별자

우선 이름: Bis(1,2-bis(diphenylphosphino)ethane)palladium(0)
IUPAC: bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
영어명: Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
분자식: C52H48P4Pd
분자량: 903.25

이름 및 동의어

Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)bis(1,2-bis(diphenylphosphino)ethane)palladium(0)RefChem:568506625-554-631277-98-2Pd(DIPHOS)2Pd(dppe)22-diphenylphosphanylethyl(diphenyl)phosphane;palladiumMFCD00009880bis(1,2-bis(diphenylphosphino)ethane)-palladium(0)bis[1,2-bis(diphenylphosphino)ethane]-palladium(0)BIS[1,2-BIS(DIPHENYLPHOSPHINO)ETHANE]-PALLADIUM

이름 더 보기

Bis[1,2-bis(diphenyLphosphino)ethane]paLPd(DIPHOS)2 Pd(dppe)2BisbisdiphenylphosphiBIS(DIPHOS)PALLADIUM(0)Bis[1,2-bis(diphenylphosphino)Bis(DIPHOS)palladium(0), Pd(DIPHOS)2Bis[1,2-bis(diphenylphosphino)ethane]

bis[1,2-bis(diphenylphosphino)ethane]palladiumC52H48P4PdSCHEMBL541082bis[1,2-bis(diphenylphosphino)ethane]palladium (0)2-diphenylphosphanylethyl(diphenyl)phosphane,palladiumDTXSID50369119FAFGMAGIYHHRKN-UHFFFAOYSA-NAKOS015900133

데이터베이스 식별자

CAS: 31277-98-2
PubChem CID: 2724231
DTXSID: DTXSID50369119
EC Number: 625-554-6

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 14
무거운 원자 수: 57
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 219 · 219-225 °C
저장 조건: -20 °C · -20°C
용해도: sol nonprotic solvents
물리적 상태: 가루
색상: 오렌지 레드
수용성: 불용성
InChI: InChI=1S/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
InChIKey: UTBLWXFSGOYWOH-UHFFFAOYSA-R
SMILES: P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)(C1C=CC=CC=1)C1=CC=CC=C1.P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Pd]

화학적 성질

yellow to orange crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

안전 데이터

wgk: 3
ridadr: 1479
HS 번호: 28439000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 36-37/39-26
포장분류: III
위험 등급: 5.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) is a homogeneous catalyst most widely used in allylic substitution reactions; good catalyst for bulky substrates; slowly dissociating ligand that gives good stereoselectivity.