trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride

• ChemBase编号: 147826
• 分子式: C9H18ClNO2
• 平均质量: 207.69772
• 单一同位素质量: 207.1026065
• SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]
• Canonical SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
• InChIKey: RRHXZLALVWBDKH-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride
• IUPAC传统名: trimethyl({2-[(2-methylprop-2-enoyl)oxy]ethyl})azanium chloride
• 别名: 甲基丙烯酰氧乙基三甲基氯化铵 溶液; 2-(甲基丙烯酰基氧)乙基三甲基铵氯; [2-(Methacryloyloxy)ethyl]trimethylammonium chloride solution; 2-(Methacryloxy)ethyltrimethylammonium chloride; 2-(Methacryloyloxy)ethyltrimethylammonium chloride

登记号

• CAS号: 5039-78-1
• EC号: 225-733-5
• MDL号: MFCD00060097
• Beilstein号: 8168395
• PubChem SID: 162242009; 24865505
• PubChem CID: 78738

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.8359668
• LogD (pH = 7.4): -2.8359668
• Log P: -2.8359668
• 摩尔折射率: 60.3503 cm^3
• 极化性: 19.29334 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -25°C
• 沸点: >100°C
• 密度: 1.105; 1.105 g/mL at 25 °C
• 折射率: 1.4660; n20/D 1.469

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22-36/38; 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 72% aq. soln., stab. with 150-200 ppm 4-methoxyphenol
• 浓度: 80 wt. % in H2O
• 其他组分: 600 ppm monomethyl ether hydroquinone as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2CH2N(CH3)3Cl

详细说明

Sigma Aldrich - 408107

包装
1 L in poly bottle
250 mL in poly bottle