基本情報
- CAS
15629-92-2- 標準SMILES
[Cl][Ni][Cl].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
ZBQUMMFUJLOTQC-UHFFFAOYSA-L- 分子式
- C27H26Cl2NiP2
- 平均分子量
- 542 g/mol
- 単同位体質量
- 540.024022
名称と識別子
- 優先名称
- Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel
- IUPAC
- dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
- 現地名
- [1,3-ビス(ジフェニルホスフィノ)プロパン]ニッケル(II)ジクロリド
- 英語名
- [1,3-Bis(diphenylphosphino)propane]nickel(II) chloride
- 分子式
- C27H26Cl2NiP2
- 分子量
- 542.04
名称と別名
名称をさらに表示
データベース識別子
- CAS
15629-92-2- PubChem CID
- 2724937
- EC Number
- 605-052-3
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
- 8
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 353
物理化学的性質
- 融点
- 213 °C · 213 °C (dec.)(lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- 結晶
- 色
- 赤
- 水溶解度
- 不溶性
- InChI
- InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
- InChIKey
- ZBQUMMFUJLOTQC-UHFFFAOYSA-L
- SMILES
- P(C1=CC=CC=C1)(CCCP(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1.[Ni](Cl)Cl
- CAS データベース
- 15629 · 15629-92-2(CAS DataBase Reference)
化学的性質
化学的特性red to red-brown powder or crystals
安全と法規制
GHS分類
GHS Classification
Danger
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (34.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H350 (92.6%): May cause cancer [Danger Carcinogenicity]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 9 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
法規制情報
安全データ
- F
- 10-21
- wgk
- 3
- tsca
- No
- ridadr
- 3282
- PRTR法
- 特定第一種指定化学物質
- hs_code
- 29319090
- risk_code
- 49-36/37/38-42/43-40
- 安衛法
- 特化則 特定化学物質(管理第2類)
- hazard_code
- T,Xn
- safety_code
- 53-26-36/37/39-45-24-22
- Hazard Classifications
- Carc. 1AEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
応用分野
用途有機合成触媒。
使用[1,3-Bis(diphenylphosphino)propane]nickel(II) chloride is used as an effective catalyst for Kumada coupling and Suzuki reactions. It also catalyzes other reactions to convert enol ethers, dithioacetals and vinyl sulfides to olefins. Further, it is used as a catalyst for preparation of block-copolythiophenes and solid state metathesis polycondensation.
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
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