3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ5,5λ5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide

• ChemBase编号: 148661
• 分子式: C12H36BF4N7P2
• 平均质量: 427.2132748
• 单一同位素质量: 427.25366073
• SMILES: [B-](F)(F)(F)F.CN(C)P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• Canonical SMILES: F[B-](F)(F)F.CN(P(=[N+]=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)C
• InChI: InChI=1S/C12H36N7P2.BF4/c1-14(2)20(15(3)4,16(5)6)13-21(17(7)8,18(9)10)19(11)12;2-1(3,4)5/h1-12H3;/q+1;-1
• InChIKey: DPIDWCQJGWFENO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphahepta-3,4-dien-4-ium; tetrafluoroboranuide
• IUPAC传统名: 3,3,5,5-tetrakis(dimethylamino)-2,6-dimethyl-2,4,6-triaza-3λ^5,5λ^5-diphosphahepta-3,4-dien-4-ium tetrafluoroborate
• 别名: 双[三(二甲氨基)正膦亚基]四氟硼酸铵; 磷腈四氟硼酸盐 P2-BF4; 1,1,1,3,3,3-六(二甲氨基)二磷腈四氟硼酸盐; 1,1,1,3,3,3-Hexakis(dimethylamino)diphosphazenium tetrafluoroborate; Bis[tris(dimethylamino)phosphoranylidene]ammonium tetrafluoroborate; Phosphazenium tetrafluoroborate P2-BF4

登记号

• CAS号: 137334-98-6
• MDL号: MFCD00216714
• Beilstein号: 5470923
• PubChem SID: 24874514; 162242836
• PubChem CID: 11811992

理论计算性质

• LogD (pH = 5.5): -2.198119
• LogD (pH = 7.4): -2.198119
• Log P: -2.198119
• 摩尔折射率: 99.105 cm^3
• 极化性: 39.008163 Å^3
• 极化表面积: 19.44 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 6
• 质子供体: 0

分子性质

理化性质

• 熔点: ≥260 °C(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261
• 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
• 危险公开号: 14-34
• 安全公开号: 26-27-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 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 3261 8/PG 2
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≥98.0% (T)
• 线性分子式: [[(CH3)2N]3P=]2N(BF4)

详细说明

Sigma Aldrich - 447730

Application
用作相转移催化剂。1
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases
包装
1 g in glass bottle

Sigma Aldrich - 52586

Other Notes
将烯醇化物烷化反应导向 O-取代的相转移催化剂1；用于与 KF 反应制备相应氟化物（强反应性无保护氟化物）的原料2
包装
5 g in poly bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases