2,6-dimethylpyridine

• ChemBase编号: 89753
• 分子式: C7H9N
• 平均质量: 107.15306
• 单一同位素质量: 107.07349929
• SMILES: n1c(cccc1C)C
• Canonical SMILES: Cc1cccc(n1)C
• InChI: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
• InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethylpyridine
• IUPAC传统名: lutidine
• 别名: 2,6-二甲基吡啶; 2,6-卢剔啶; 2,6-二甲基吡啶; NSC 2155; α,α'-Dimethylpyridine; α,α'-Lutidine; 2,6-Dimethylpyridine; Lutidine; 2,6-Lutidine; 2,6-Dimethylpyridine; 2,6-LUTIDINE; 2,6-DIMETHYLPYRIDINE; 2,6-Lutidine; 2,6-Dimethylpyridine 98+%

登记号

• CAS号: 108-48-5
• EC号: 203-587-3
• MDL号: MFCD00006345
• Beilstein号: 105690
• 默克索引号: 145616
• PubChem SID: 24845651; 24896359; 162076609; 24901770; 24860356
• PubChem CID: 7937
• Chemspider ID: 7649
• FEMA编号: 3540
• 美国药典/FDA物质标识码: 15FQ5D0T3P
• 维基百科标题: 2,6-Lutidine
• 欧洲委员会编号: 11381
• Flavis Number: 14.065

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.00787011
• LogD (pH = 7.4): 0.96252024
• Log P: 1.0183138
• 摩尔折射率: 33.0841 cm^3
• 极化性: 12.976114 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 27.2% at 45.3 °C in water; Chloroform
• 外观: Clear oily liquid; Pale Yellow Solid
• 熔点: -5.8°C; -6 - -6°C; -6 °C(lit.); -6°C; -7°C; -9 to -6°C; -9°C
• 沸点: 143-145 °C(lit.); 143-145°C; 143-145°C; 144°C
• 闪点: 33°C; 33.8°C; 33°C(91°F); 37 °C; 98.6 °F
• 密度: 0.92 g/mL at 25 °C(lit.); 0.921; 0.923; 0.9252; 0.9252 g/ml; 0.9252 g/ml @ 20°C
• 折射率: 1.497; 1.4970; n20/D 1.497(lit.); n20/D 1.498; n20/D 1.499
• 疏水性(logP): 1.643
• pKa: 6.60
• 感官: green; nutty; coffee

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C), Store Under Nitrogen
• 保存注意事项: Flammable/Harmful/Irritant/Hygroscopic/Keep Cold/Store under Argon; Hygroscopic
• RTECS编号: OK9700000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; UN1993
• 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; III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 10-22-36/37/38; R:10-22
• 安全公开号: 23-26-36/37-60; 26; R; S:9-16-36/37/39
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280H-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
• RID/ADR: UN 1993 3/PG 3

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥96.0% (GC); ≥99%; ≥99.0% (GC); ≥99.7% (GC); 95%; 97%; 98%; 98+%; 99%
• 级别: analytical standard; Halal; Kosher; NI; puriss.; purum; ReagentPlus®
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: redistillation
• Empirical Formula (Hill Notation): C7H9N

详细说明

MP Biomedicals - 05204757

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151569

1 ml = approx. 0.92 g
Purity: 99%

Sigma Aldrich - W354007

包装
1 kg in glass bottle
1 sample in glass bottle
5, 10 kg in steel drum

Sigma Aldrich - 336106

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - L3900

包装
100, 500 mL in glass bottle
2 L in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - L476500

Isolated from the basic fraction of coal tar. A semi-volatile compound in tobacco.

参考文献

• Van den Dool, H., et al.: J. Chromatogr.,11, 463 ( 1963), Radulovic, N., et al.: Phytother. Res., 20, 85 (2006)
• This hindered base has been recommended for the exhaustive methylation of aromatic amines: J. Org. Chem., 35, 1558 (1970), and for the Rosenmund reduction of acyl halides to aldehydes: Synthesis, 767 (1976).
• Base catalyst for the silylation of highly-hindered secondary or tertiary alcohols by tert-Butyldimethylsilyl trifluoromethanesulfonate, A12174.
• For monometallation with potassium amide in liquid ammonia, and subsequent carboethoxylation with diethyl carbonate, see: Org. Synth. Coll., 6, 611 (1988).