2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine

• ChemBase编号: 135585
• 分子式: C13H31N4P
• 平均质量: 274.385801
• 单一同位素质量: 274.22863364
• SMILES: CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
• Canonical SMILES: CCN(P1(=NC(C)(C)C)N(C)CCCN1C)CC
• InChI: InChI=1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
• InChIKey: VSCBATMPTLKTOV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ^5-diazaphosphinan-2-amine
• IUPAC传统名: 2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ^5-diazaphosphinan-2-amine
• 别名: 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷; 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷 溶液; BEMP; 2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine; 2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine solution

登记号

• CAS号: 98015-45-3
• MDL号: MFCD00043143
• Beilstein号: 5534901
• PubChem SID: 162229859; 24851355; 24862136
• PubChem CID: 3513851

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.4895518
• LogD (pH = 7.4): 0.48967114
• Log P: 0.48967266
• 摩尔折射率: 81.7913 cm^3
• 极化性: 32.463818 Å^3
• 极化表面积: 22.08 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 74 °C/0.03 mmHg(lit.)
• 闪点: 110 °C; -22 °C; 230 °F; -7.6 °F
• 密度: 0.948 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.477; n20/D 1.477(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N)
• 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): 2
• 危险公开号: 11-34-48/20-51/53-62-65-67; 34
• 安全公开号: 16-26-36/37/39-45-61-62; 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H304-H314-H336-H361f-H373-H411; H314
• GHS警示性声明: P210-P261-P273-P280-P301 + P310-P305 + P351 + P338; 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 2

产品相关信息

• 纯度: ≥97% (GC); ≥98.0% (GC); 97% (GC); 98%
• 浓度: 1 M in hexane
• 级别: purum
• 杂质: ≤0.10% water
• Empirical Formula (Hill Notation): C13H31N4P

详细说明

Sigma Aldrich - 360007

包装
1 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

Sigma Aldrich - 20025

Other Notes
BEMP 的碱性大约为 DBU（l,8-二氮杂二环[5.4.0]十一碳烯）的 2000 倍，位阻也比 DBU 大1,2,3,4；综述5
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases