triethyl(methyl)azanium methyl carbonate

• ChemBase编号: 140980
• 分子式: C9H21NO3
• 平均质量: 191.26794
• 单一同位素质量: 191.15214354
• SMILES: CC[N+](C)(CC)CC.COC(=O)[O-]
• Canonical SMILES: CC[N+](CC)(CC)C.COC(=O)[O-]
• InChI: InChI=1S/C7H18N.C2H4O3/c1-5-8(4,6-2)7-3;1-5-2(3)4/h5-7H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: VTQIDJHZYPEFBP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triethyl(methyl)azanium methyl carbonate
• IUPAC传统名: triethyl(methyl)azanium methyl carbonate
• 别名: 甲基三乙基甲基碳酸铵; 三乙基甲基甲基碳酸铵 溶液; Methyltriethylammonium methyl carbonate; Triethylmethylammonium methyl carbonate solution

登记号

• CAS号: 113840-08-7
• MDL号: MFCD09265057
• PubChem SID: 162235216; 24885091
• PubChem CID: 11019667

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.9017432
• LogD (pH = 7.4): -2.9017432
• Log P: -2.9017432
• 摩尔折射率: 50.1475 cm^3
• 极化性: 15.112125 Å^3
• 极化表面积: 0.0 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

• 闪点: 134.6 °F; 57 °C
• 折射率: n20/D 1.407

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 1987
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 20/21/22-39/23/24/25
• 安全公开号: 36/37
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H302 + H312 + H332-H370
• GHS警示性声明: P260-P280-P307 + P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1987 3/PG 3

产品相关信息

• 浓度: ~50% in methanol: water (2:3)
• 痕量阴离子: bromide (Br-): ≤10 mg/kg; chloride (Cl-): ≤10 mg/kg; fluoride (F-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤50 mg/kg; sulfate (SO42-): ≤10 mg/kg
• Empirical Formula (Hill Notation): C9H21NO3

详细说明

Sigma Aldrich - 671053

包装
10, 100 g in poly bottle
Application
CBILS: A Revolutionary Tool for ionic liquid synthesis