Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 105144CAS 16065-88-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: [Pd+2]
InChIKey: MUJIDPITZJWBSW-UHFFFAOYSA-N
분자식: Pd+2
평균 분자량: 106.42 g/mol
단동위원소 질량: 105.90238884

개요

See also: Palladium (annotation moved to).

이름 및 식별자

우선 이름: Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
IUPAC: palladium(2+)
영어명: Allylchloro[1,3-bis(2,6-di-I-propylphenyl)imidazol-2-ylidene]palladium (II)
분자식: C30H41ClN2Pd
분자량: 571.53

이름 및 동의어

Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II)Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)RefChem:554893625-870-4PALLADIUM IONpalladium(2+)16065-88-6Palladous ionPalladium(2+), ionPALLADIUM(II)Palladium, ion (Pd(2+))palladium(+2)

이름 더 보기

(NHC)Pd(allyl)Cl-2-yLUmicore CX21ALLYLCHLORO[1,3-BIS(2imidazol-2-ylidene]palladium(II)UMicore CX21, 18% Pd, Product of UMicoreAllylchloro[1,3-bis(2,6-di-i-propylphenyl)[1,3-bis(2,6-diisopropylphenyl)-2H-imidazol-2-yl]-chloro-pal...

PDIIPd++Pd2+SCHEMBL29372082DTXSID10936361MUJIDPITZJWBSW-UHFFFAOYSA-NQ27464366

데이터베이스 식별자

CAS: 16065-88-6、478980-03-9
PubChem CID: 105144
DTXSID: DTXSID10936361
EC Number: 625-870-4
Nikkaji: J3.792.114I

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 1
형식 전하: 2
복잡도: 0

물리화학적 성질

녹는점: 190 °C · 190°C (dec.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 가루
색상: 하얀색
InChI: InChI=1S/Pd/q+2
InChIKey: MUJIDPITZJWBSW-UHFFFAOYSA-N
SMILES: [Pd+2]

화학적 성질

Yellow crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H252 (34.4%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]

P235, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSelf-heat. 2 (34.4%)

안전 데이터

wgk: 3
HS 번호: 28439000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II) is used as a catalyst for the arylation of ketones, Suzuki coupling reaction, Buchwald-Hartwig amination reaction, dehalogenation of aryl chlorides, and oxidation of secondary alcohols.

일반 설명Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II) is an air-stable, well-defined palladium N-heterocyclic carbene complex, which can efficiently catalyze α-arylation of ketones.