トリス[4-(トリフルオロメチル)フェニル]ホスフィン

Tris(4-trifluoromethylphenyl)phosphine

HCID 139448

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 13406-29-6
標準SMILES: FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIKey: PXYCJKZSCDFXLR-UHFFFAOYSA-N
分子式: C21H12F9P
平均分子量: 466.3 g/mol
単同位体質量: 466.05329084

名称と識別子

優先名称: Tris(4-trifluoromethylphenyl)phosphine
IUPAC: tris[4-(trifluoromethyl)phenyl]phosphane
現地名: トリス[4-(トリフルオロメチル)フェニル]ホスフィン
英語名: TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE
分子式: C21H12F9P
分子量: 466.28

名称と別名

Tris(4-trifluoromethylphenyl)phosphineRefChem:900258625-726-013406-29-6Tris(4-(trifluoromethyl)phenyl)phosphinetris[4-(trifluoromethyl)phenyl]phosphaneTris(p-trifluoromethylphenyl)phosphineMFCD00058883Tris[4-(trifluoromethyl)phenyl]phosphinePhosphine, tris[4-(trifluoromethyl)phenyl]-C21H12F9PSCHEMBL287478

名称をさらに表示

トリス[p-(トリフルオロメチル)フェニル]ホスフィントリス[4-(トリフルオロメチル)フェニル]ホスフィントリス(4-トリフルオロメチルフェニル)ホスフィントリス(4‐トリフルオロメチルフェニル)ホスフィントリス(p-トリフルオロメチルフェニル)ホスフィン, min. 97%トリ(4-(トリフルオロメチル)フェニル)ホスフィントリス[4-(トリフルオロメチル)フェニル]ホスファントリ(4-トリフルオロメチルフェニル)ホスフィンTris(4-(trifluoromethyl)4,4',4''-phosphoryltrimorpholineTRIS(P-TRIFLUOROMETHYLPHENYL)BENZENETri (4-trifluoromethylphenyl) phosphineTris[p-(trifluoromethyl)phenyl]phosphanePotassium tetrakis(trifluoromethyl)borateTris(4-trifluoromethylphenyl)phosphine,99%

Phosphine, tris(4-(trifluoromethyl)phenyl)-GEO-04600AKOS015914238tris (4-trifluoromethylphenyl)phosphinePhosphine, tris(.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl)-tris(4-(trifluoromethyl)phenyl)phosphanePhosphine,SC11109

データベース識別子

CAS: 13406-29-6
PubChem CID: 139448
DTXSID: DTXSID20928398
EC Number: 625-726-0
Nikkaji: J125.029I

物性

構造計算による物性

XLogP: 7.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 3
重原子数: 31
形式電荷: 0
複雑度: 478

物理化学的性質

融点: 70 · 70-75 °C
沸点: 382.8 · 382.8±42.0 °C(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: 液体
色: クリア
水溶解度: 水に不溶。
InChI: InChI=1S/C21H12F9P/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30/h1-12H
InChIKey: PXYCJKZSCDFXLR-UHFFFAOYSA-N
SMILES: P(C1=CC=C(C(F)(F)F)C=C1)(C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1
CAS データベース: 13406 · 13406-29-6(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]；H413 (88.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 45 reports by companies from 5 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.