CAS 106224-36-6 palladium(II) pivalate (HCID 24905427)

基本情報

CAS: 106224-36-6
標準SMILES: CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Pd+2]
InChIKey: PAGZTSLSNQZYEV-UHFFFAOYSA-L
分子式: C10H18O4Pd
平均分子量: 308.67 g/mol
単同位体質量: 308.02399506

名称と識別子

優先名称: palladium(II) pivalate
IUPAC: bis(2,2-dimethylpropanoate);palladium(2+)
現地名: パラジウムピバラート
英語名: Palladium pivalate 97%
分子式: Pd[O2C(CH3)3]2
分子量: 309

名称と別名

Palladium pivalatepalladium(II) pivalateRefChem:858336687-340-9936-555-9106224-36-6Palladium dipivalate2,2-dimethylpropanoate;palladium(2+)C10H18O4PdPalladium pivalate 97per centPalladium(II) trimethylacetatepalladium(II)pivalate

名称をさらに表示

パラジウムピバラートトリメチル酢酸パラジウム(II), min. 98%2,2-DimethylpropanoiPalladium pivalate 97%Palladium pivalate 97%Palladium(II) trimethylacetate，97%PalladiuM(II)triMethylacetate,Min.98%Palladium(II) trimethylacetate, min. 98%

palladium(11) pivalate2,2-Dimethylpropanoic acid palladium(II) saltMFCD16038138SCHEMBL301033DTXSID606480082,2-dimethylpropanoate,palladium(2+)AKOS025294023SY069974

データベース識別子

CAS: 106224-36-6
PubChem CID: 24905427
DTXSID: DTXSID60648008
EC Number: 687-340-9、936-555-9
Nikkaji: J2.425.701K

物性

構造計算による物性

極性表面積: 80.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 73.1

物理化学的性質

融点: 230 · 230-232 °C
貯蔵温度: Inert atmosphere,Room Temperature
外見: 個体
色: オレンジ
水溶解度: 1 · 酢酸エチル、メタノール、クロロホルム、テトラヒドロフラン、1,4-ジオキサンに可溶。水に溶けません。
InChI: InChI=1S/2C5H10O2.Pd/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKey: PAGZTSLSNQZYEV-UHFFFAOYSA-L
SMILES: [Pd+2].C([O-])(=O)C(C)(C)C.C([O-])(=O)C(C)(C)C

安全と法規制

GHS分類

GHS Classification · 6 件

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Acute Tox. 3 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Palladium(II) trimethylacetate is used as a catalyst for aerobic cyclization of acrylic acid with alkenes. It is utilized in the benzylation of heterocycles with benzyl chloride and direct arylation reactions. Furthermore, it is used in regioselective oxidative arene cross-coupling.