bis[3,5-bis(trifluoromethyl)phenyl](chloro)phosphane

• ChemBase编号: 141395
• 分子式: C16H6ClF12P
• 平均质量: 492.6264394
• 单一同位素质量: 491.97040314
• SMILES: c1c(cc(cc1C(F)(F)F)P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F
• Canonical SMILES: ClP(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H6ClF12P/c17-30(11-3-7(13(18,19)20)1-8(4-11)14(21,22)23)12-5-9(15(24,25)26)2-10(6-12)16(27,28)29/h1-6H
• InChIKey: DFZQEHBNAJGDCT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis[3,5-bis(trifluoromethyl)phenyl](chloro)phosphane
• IUPAC传统名: bis[3,5-bis(trifluoromethyl)phenyl](chloro)phosphane
• 别名: 氯二[3,5-二(三氟甲基)苯基]膦; 双(3,5-二(三氟甲基)苯基)氯膦; Bis[3,5-bis(trifluoromethyl)phenyl]chlorophosphine; Chlorobis[3,5-bis(trifluoromethyl)phenyl]phosphine; P,P-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinous chloride; Bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine

登记号

• CAS号: 142421-57-6
• EC号: 000-000-0
• MDL号: MFCD01630852
• PubChem SID: 162235629
• PubChem CID: 5104965

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6701
• LogD (pH = 7.4): 7.6701
• Log P: 7.6701
• 摩尔折射率: 86.1797 cm^3
• 极化性: 30.401896 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 25-29 °C

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3096; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 14-34; 34
• 安全公开号: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H261-H314; H314-H318
• GHS警示性声明: P231 + P232-P280-P305 + P351 + P338-P310-P422; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3096 8/PG 2

产品相关信息

• 纯度: 98+%, may contain suspended dimethylamine hydrochloride crystals
• Empirical Formula (Hill Notation): C16H6ClF12P

详细说明

Sigma Aldrich - 694746

包装
100, 500 mg in glass bottle
Legal Information
Kanata Chemical Technologies, Inc. 产品
Application
Reactant for synthesis of:
• Chiral phosphine-aminophosphine ligands for rhodium-catalyzed asymmetric hydrogenation1
• Ligands for palladium-catalyzed stereoselective allylation reactions2
• Ligands for enantioselective hydrogenations3
• Josiphos analog as catalyst for asymmetric hydrogenation4
• Ligands used in asymmetric hydrovinylation reactions5Reactant for enantioselective hydrogenation reactions catalyzed by Ru-(phosphine-oxazoline) complexes6