2-(ジ-TERT-ブチルホスフィノ)-2′-メチルビフェニル

2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl

HCID 2734937

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 255837-19-5
標準SMILES: Cc1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIKey: UJONYAVMBYXBJQ-UHFFFAOYSA-N
分子式: C21H29P
平均分子量: 312.4 g/mol
単同位体質量: 312.20068792

名称と識別子

優先名称: 2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl
IUPAC: ditert-butyl-[2-(2-methylphenyl)phenyl]phosphane
現地名: 2-(ジ-TERT-ブチルホスフィノ)-2′-メチルビフェニル
英語名: 2-(Di-t-butylphosphino)-2'-methylbiphenyl
分子式: C21H29P
分子量: 312.43

名称と別名

255837-19-5RefChem:4605412-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenylDi-tert-butyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine2-(Di-tert-butylphosphino)-2'-methylbiphenyltBuMePhos2-DI-TERT-BUTYLPHOSPHINO-2'-METHYLBIPHENYL2-(DI-T-BUTYLPHOSPHINO)-2'-METHYLBIPHENYLMFCD03453047ditert-butyl-[2-(2-methylphenyl)phenyl]phosphane2-di-t-butylphosphino-2'-methylbiphenylC21H29P

名称をさらに表示

2-(ジ-TERT-ブチルホスフィノ)-2′-メチルビフェニル2‐ジ‐TERT‐ブチルホスフィノ‐2′‐メチルビフェニル2-ジ-T-ブチルホスフィノ-2'-メチルビフェニル2-ジ-TERT-ブチルホスフィノｰ2′-メチルビフェニル2-ジ-ｔｅｒｔ-ブチルホスフィノ-2′-メチルビフェニルtBuM98% tBuMePhostBuMePhos 97%

DI-TERT-BUTYL({2'-METHYL-[1,1'-BIPHENYL]-2-YL})PHOSPHANEt-Butyl MePhosdi-tert-butyl(2'-methylbiphenyl-2-yl)phosphineDi-tert-butyl(2'-methyl-[1,1'-biphenyl]-2-yl)phosphine;2-(Di-tert-butylphosphino)-2'-methylbiphenyltBuMePhos, 97%PHOSPHINE, BIS(1,1-DIMETHYLETHYL)(2'-METHYL[1,1'-BIPHENYL]-2-YL)-2-Di-t-butylphosphino-2'-methyl)-1,1'-biphenylSCHEMBL196673

データベース識別子

CAS: 255837-19-5
PubChem CID: 2734937
DTXSID: DTXSID30370586
EC Number: 607-748-2
Nikkaji: J1.270.935H

物性

構造計算による物性

XLogP: 5.5
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: 4
重原子数: 22
形式電荷: 0
複雑度: 332

物理化学的性質

融点: 91 · 91-93 °C
沸点: 408 · 408.0±24.0 °C(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶性粉末
色: 白い
InChI: InChI=1S/C21H29P/c1-16-12-8-9-13-17(16)18-14-10-11-15-19(18)22(20(2,3)4)21(5,6)7/h8-15H,1-7H3
InChIKey: UJONYAVMBYXBJQ-UHFFFAOYSA-N
SMILES: P(C(C)(C)C)(C(C)(C)C)C1=CC=CC=C1C1=CC=CC=C1C

化学的性質

化学的特性White crystalline powder

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 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (20%): 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 5 reports by companies from 2 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%)；Aquatic Chronic 4 (20%)

安全データ

wgk: 3
tsca: No
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明2-(Di-t-butylphosphino)-2'-methylbiphenyl is a phosphine that has two functional groups, amide and aromatic hydrocarbon. The geometric isomers of this molecule are cis and trans. It can be used to diagnose reactions in a reaction vessel with mammalian cells. It also reacts with pyrazoles, triazoles and other molecules to form isomers at the 2 position of the biphenyl ring.

使用suzuki reaction