N,N,N-trimethylanilinium oxidanide

• ChemBase编号: 152535
• 分子式: C9H15NO
• 平均质量: 153.2215
• 单一同位素质量: 153.11536411
• SMILES: C[N+](C)(C)c1ccccc1.[OH-]
• Canonical SMILES: C[N+](c1ccccc1)(C)C.[OH-]
• InChI: InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
• InChIKey: HADKRTWCOYPCPH-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: N,N,N-trimethylanilinium oxidanide
• IUPAC传统名: tetrabutylammonium tribromide oxidanide
• 别名: 苯基三甲基氢氧化铵; 三甲基苯基氢氧化铵 溶液; TMAH; Phenyltrimethylammonium hydroxide; Trimethylphenylammonium hydroxide solution

登记号

• CAS号: 1899-02-1
• MDL号: MFCD00041899
• Beilstein号: 3917033
• PubChem SID: 162246680; 24887432; 24887433
• PubChem CID: 15913

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.96705
• LogD (pH = 7.4): -1.96705
• Log P: -1.96705
• 摩尔折射率: 55.6793 cm^3
• 极化性: 17.334887 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 11 °C; 51.8 °F
• 折射率: n20/D 1.395

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 1230; 3267
• 德国WGK号: 3
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-23/24/25-36/38-39/23/24/25; 34
• 安全公开号: 16-26-36/37-45; 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H314-H331-H370; H314
• GHS警示性声明: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 3267 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: ~0.5 M (CH3)3N(OH)C6H5 in methanol; ~25% in H2O (1.68 M)
• 级别: for GC derivatization
• 杂质: ≤0.2% halides (as chloride)
• Derivatization reagent for: Esterifications
• 线性分子式: (CH3)3N(OH)C6H5

详细说明

Sigma Aldrich - 79267

包装
100 mL in poly bottle

Sigma Aldrich - 79266

Other Notes
可适用销售限制条款