トリス(ペンタフルオロフェニル)ボラン

Tris(pentafluorophenyl)borane

HCID 582056

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1109-15-5
標準SMILES: Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N
分子式: C18BF15
平均分子量: 512 g/mol
単同位体質量: 511.9853526

名称と識別子

優先名称: Tris(pentafluorophenyl)borane
IUPAC: tris(2,3,4,5,6-pentafluorophenyl)borane
現地名: トリス(ペンタフルオロフェニル)ボラン
英語名: TRIS(PENTAFLUOROPHENYL)BORANE
分子式: C18BF15
分子量: 511.98

名称と別名

Tris(pentafluorophenyl)borane1109-15-5I3WU5E2578DTXSID6074594BF-15RefChem:192143DTXCID4033182601-014-5Tris(perfluorophenyl)boraneTris(2,3,4,5,6-pentafluorophenyl)boraneTRIS(PENTAFLUOROPHENYL)BORONMFCD00269813

名称をさらに表示

トリス(ペンタフルオロフェニル)ボラントリス(ペンタフルオロフェニル)ボランホウ素トリス(ペンタフルオロフェニル)ボロントリス(パーフルオロフェニル)ボラントリス(ペンタフルオロフェニル)ボラン, 97%トリス(ペンタフルオロフェニル)ボラートトリス(ペンタフルオロフェノキシ)ボラントリス(ペンタフルオロフェノキシ)ほう素ほう酸トリ(2,3,4,5,6-ペンタフルオロフェニル)トリス(2,3,4,5,6-ペンタフルオロフェニル) ボラートTris(Pentafluorophenyl)BorateTris(pentafluorophenyl)boron,min.97%Tris(pentafLperfluorotriphenylboronePERFLUOROTRIPHENYLBORANE

C18BF15TRIS (PENTAFLUORO) PHENYL BORANE135072-62-7Borane, tris(2,3,4,5,6-pentafluorophenyl)-B(C6F5)3PerfluorotriphenylboronBorane, tris(pentafluorophenyl)-tri(pentafluorophenyl)borane

データベース識別子

CAS: 1109-15-5、135072-62-7
PubChem CID: 582056
DTXSID: DTXSID6074594
UNII: I3WU5E2578
EC Number: 195-368-3、414-000-7、601-014-5
Nikkaji: J640.919I

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 15
回転可能結合数: 3
重原子数: 34
形式電荷: 0
複雑度: 566

物理化学的性質

融点: 126 · 126-131 °C (lit.)
沸点: 327.3 · 327.3±42.0 °C(Predicted)
比重(密度): 0.73 g/mL · 0.73 g/mL at 20 °C
屈折率: 20 · n20/D 1.41
闪点: 7 °C · 7 °C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: ヘキサン、クロロホルム、ジクロロメタン、トルエン、極性溶媒に可溶。
外見: 粉
比重: 1.7 · 1.7
色: ホワイト～ライトイエローベージュ
Merck: 14 · 14,9755
BRN: 2931347 · 2931347
InChI: 1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c3c(F)c(F)c(F)c(F)c3F)c(F)c1F
CAS データベース: 1109 · 1109-15-5(CAS DataBase Reference)
EPAの化学物質情報: Borane, tris(2,3,4,5,6-pentafluorophenyl)- (1109-15-5)

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 3 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

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9908

Hazard Classes and Categories · 2 件

Acute Tox. 3 (96.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

法規制情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9908

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1268 3/PG 2
PRTR法: 第一種指定化学物質
hs_code: 29039990
risk_code: 36/37/38-25-67-65-50/53-38-11
hazard_code: Xi,T,N,Xn,F
safety_code: 60-61-62-45-37/39-26-36
hazard_class: 6.1
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

用途と製造

General Manufacturing InformationBorane, tris(2,3,4,5,6-pentafluorophenyl)-: ACTIVE

応用分野 · 3 件

用途有機合成触媒。

使用Tris(pentafluorophenyl)borane is used as an excellent activator component in homogeneous Ziegler-Natta chemistry. It is also used as a catalyst for reductions, alkylations, hydrometallation reactions and catalyzed aldol-type reactions. It is a useful Lewis acid and catalyzes hydrosilylation of aldehydes. Further, it is used in olefin polymerization catalysis. It serves as a reagent in the preparation of organometallic complexes. In addition to this, it is useful as polymerization catalysts and used to study the heterolytic cleavage of dihydrogen in associated with tri-tert-butylphosphine.

一般的な説明B(C6F5)3 is a Lewis acid, stronger than the inorganic parent molecule BF3. In contrast to the prominent Lewis acids, the pentafluorides of the heavier elements of group 15, B(C6F5)3 has no oxidizing properties. B(C6F5)3 forms adducts with neutral and weaker Lewis bases. B(C6F5)3 has the capability to easily accept anionic ligands bonded to metals.