基本情報
- 標準SMILES
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]- InChIKey
MXQOYLRVSVOCQT-UHFFFAOYSA-N- 分子式
- C24H54P2Pd
- 平均分子量
- 511.1 g/mol
- 単同位体質量
- 510.27356
名称と識別子
- 優先名称
- Bis(tri-tert-butylphosphine)palladium(0)
- IUPAC
- palladium;bis(tritert-butylphosphane)
- 現地名
- ビス(トリ-tert-ブチルホスフィン)パラジウム(0)
- 英語名
- Bis(tri-tert-butylphosphine)palladium(0)
- 分子式
- C24H56P2Pd
- 分子量
- 513.08
名称と別名
名称をさらに表示
データベース識別子
- CAS
53199-31-8- PubChem CID
- 2734558
- DTXSID
DTXSID80370359- EC Number
- 640-284-9
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 6
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 128
物理化学的性質
- 融点
- 300 °C · >300 °C
- 貯蔵温度
- -20 °C · -20°C
- 外見
- クリスタル
- 色
- オフホワイトからオレンジブラウン
- 水溶解度
- 不溶性
- InChI
- InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;/q;;-2/p+2
- InChIKey
- XULQKWNZCKOVSU-UHFFFAOYSA-P
- SMILES
- P(C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pd]P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
- CAS データベース
- 53199 · 53199-31-8(CAS DataBase Reference)
化学的性質
化学的特性Off white crystalline solid
安全と法規制
GHS分類
GHS Classification
Danger
H228 (69.7%): Flammable solid [Danger Flammable solids];H251 (66.7%): Self-heating; may catch fire [Danger Self-heating substances and mixtures];H302+H312+H332 (66.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (75.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (75.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (75.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (27.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P210, P235, P240, P241, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
安全データ
- wgk
- 3
- tsca
- No
- hs_code
- 28439000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用Bis(tri-tert-butylphosphine)palladium(0) is used in Coupling reactions, Heck couplings. It acts as a palladium catalyst for reductive carbonylation.
一般的な説明This product has been enhanced for catalytic efficiency.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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