トリス(4-クロロフェニル)ホスフィン

Tris(4-chlorophenyl)phosphine

HCID 70874CAS 1159-54-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYSA-N
分子式: C18H12Cl3P
平均分子量: 365.6 g/mol
単同位体質量: 363.97422

名称と識別子

優先名称: Tris(4-chlorophenyl)phosphine
IUPAC: tris(4-chlorophenyl)phosphane
現地名: トリス(4-クロロフェニル)ホスフィン
英語名: Tris(4-chlorophenyl)phosphine
分子式: C18H12Cl3P
分子量: 365.62

名称と別名

Tris(4-chlorophenyl)phosphine1159-54-2Phosphine, tris(4-chlorophenyl)-Tris(p-chlorophenyl)phosphinetri(p-Chlorophenyl)phosphinetri-(4-Chlorophenyl)phosphinePhosphine, tris(p-chlorophenyl)-EINECS 214-596-7DTXSID30151216Phosphine, tris[4-chlorophenyl]-NSC 136459RefChem:192104

名称をさらに表示

トリス(4-クロロフェニル)ホスフィントリ(4-クロロフェニル)ホスフィントリス(p-クロロフェニル)ホスフィントリ(p-クロロフェニル)ホスフィン, 99%トリス(4-クロロフェニル)ホスファンTri(p-chlorophenTris(4-chlorophenyl)TRI(4-CHLOROPHENYL)PHOSPHINERIS(4-CHLOROPHENYL)PHOSPHINETris(p-chlorophenyl)phosphane

DTXCID9073707214-596-7IQKSLJOIKWOGIZ-UHFFFAOYSA-Ntris(4-chlorophenyl)phosphaneMFCD00013639NSC136459DWG5LE6Q8XNSC-136459

データベース識別子

CAS: 1159-54-2
PubChem CID: 70874
DTXSID: DTXSID30151216
UNII: DWG5LE6Q8X
EC Number: 214-596-7
Nikkaji: J203.418B

物性

構造計算による物性

XLogP: 6.5
極性表面積: 0 Å²
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: 3
重原子数: 22
形式電荷: 0
複雑度: 275

物理化学的性質

融点: 100 · 100-103 °C (lit.)
沸点: 427.6 · 427.6±40.0 °C(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶
色: 白い
BRN: 751458 · 751458
InChI: 1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)P(c2ccc(Cl)cc2)c3ccc(Cl)cc3
CAS データベース: 1159 · 1159-54-2(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 6 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
tsca: No
ridadr: 3278
hs_code: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
packing_group: III
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Catalyst for:Preparation of chromans and (E,E)-1,3-dienes via reaction of γ-substituted allenoates with aldehydesSolvent-free Heck reactionsCocatalyst in:Regioselective carbomagnesiation of terminal alkynes and enynes with alkyl Grignard reagentsRhodium-catalyzed coordination-assisted regioselective alkenylation of aromatic C-H bonds with terminal silylacetylenesRhodium-catalyzed hydrogenation reactionsPlatinum-catalyzed allylation reactions