2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ5,5λ5-diphosphaocta-3,5-diene-3,3,5,5-tetramine

• ChemBase编号: 152681
• 分子式: C14H39N7P2
• 平均质量: 367.453882
• 单一同位素质量: 367.27421754
• SMILES: CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: CN(P(=NC(C)(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3
• InChIKey: CJTQESMNKMUZAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• IUPAC传统名: 2,3-N',3-N',3-N,3-N,5-N',5-N',5-N,5-N,7,7-undecamethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphaocta-3,5-diene-3,3,5,5-tetramine
• 别名: 1-叔丁基-2,2,4,4,4-五(二甲氨基)-2Λ5,4Λ5-连二(磷氮基化合物); 磷腈配体 P2-叔丁基 溶液; 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); Phosphazene base P2-t-Bu solution

登记号

• CAS号: 111324-03-9
• MDL号: MFCD01863108
• Beilstein号: 5759205
• PubChem SID: 162246824; 24887454
• PubChem CID: 4275357

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): -2.1953344
• LogD (pH = 7.4): -1.2253866
• Log P: -1.1746507
• 摩尔折射率: 107.4139 cm^3
• 极化性: 42.01219 Å^3
• 极化表面积: 40.92 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 1.4 °F; -17 °C

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2920
• 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): 1
• 危险公开号: 11-19-34-37
• 安全公开号: 16-26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H314-H335
• GHS警示性声明: P210-P261-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 2920 8/PG 1
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 浓度: ~2.0 M in THF
• Empirical Formula (Hill Notation): C14H39N7P2

详细说明

Sigma Aldrich - 79416

Other Notes
具有位阻的含中性氮的强碱；其碱性约为 DBU [pKa (DMSO) 21.45] 的 109 倍。水解稳定且不受烷基化试剂的影响1；高选择性碱2；膦类化合物的脱质子化3
包装
1, 5, 25 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases