chlorobis(4-methylphenyl)phosphane

• ChemBase编号: 142662
• 分子式: C14H14ClP
• 平均质量: 248.687721
• 单一同位素质量: 248.05216476
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)Cl
• Canonical SMILES: ClP(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C14H14ClP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
• InChIKey: BJBXRRHIBSXGLF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chlorobis(4-methylphenyl)phosphane
• IUPAC传统名: chlorobis(4-methylphenyl)phosphane
• 别名: P,P-双(4-甲基苯基)-氯化膦; 氯二对甲苯基膦; 双(4-甲基苯基)氯膦; 二对甲苯基氯化膦; P,P-Bis(4-methylphenyl)-phosphinous chloride; Chlorodi-p-tolylphosphine; Bis(4-methylphenyl)chlorophosphine; Di(p-tolyl)chlorophosphine; Chlorobis(4-methylphenyl)phosphine; Chlorodi(p-tolyl)phosphine

登记号

• CAS号: 1019-71-2
• EC号: 000-000-0
• MDL号: MFCD01630844
• PubChem SID: 162236888
• PubChem CID: 4188608

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0733
• LogD (pH = 7.4): 5.0733
• Log P: 5.0733
• 摩尔折射率: 72.3673 cm^3
• 极化性: 27.986206 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 180-184°C/10mm
• 密度: 1.1 g/mL at 25 °C; 1.159
• 折射率: n20/D 1.501

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: 3265; UN1760
• 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): 3; 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: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: 95%; 96%
• Empirical Formula (Hill Notation): C14H14ClP

详细说明

Sigma Aldrich - 695815

包装
1 g in glass bottle
250 mg in glass bottle
Application
Reactant for synthesis of:
• Palladium catalysts for C-C bond forming cross-coupling reactions1
• Ligands for nickel(0)-catalyzed isomerization reactions2
• Phosphinosulfonamide nickel complexes for oligomerization reactions3Reactant for:
• Pd-catalyzed intramolecular asymmetric allylic amination and ring-closing metathesis4
• Phosphinylation reactions5