2,6-dimethylaniline

• ChemBase编号: 68981
• 分子式: C8H11N
• 平均质量: 121.17964
• 单一同位素质量: 121.08914936
• SMILES: Nc1c(cccc1C)C
• Canonical SMILES: Cc1cccc(c1N)C
• InChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
• InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethylaniline
• IUPAC传统名: 2,6-dimethylaniline
• 别名: 2,6-二甲苯胺; 2-氨基-1,3-二甲苯; 2-氨基间二甲苯; 2,6-二甲基苯胺; 2,6-Xylidine; 2-Amino-1,3-dimethylbenzene; 2,6-dimethylaniline; 2,6-dimethylbenzenamine; 2,6-dimethylphenylamine; 2,6-Xylidine; 2,6-Dimethylaniline; 2-Amino-m-xylene; 2,6-Dimethylaniline

登记号

• CAS号: 87-62-7
• EC号: 201-758-7
• MDL号: MFCD00007747
• Beilstein号: 636332
• 默克索引号: 1410084
• PubChem SID: 162034711; 24864649; 24867801; 24862784; 24893446
• PubChem CID: 6896
• CHEBI ID: 28738
• Chemspider ID: 6630
• KEGG ID: C11004
• 维基百科标题: 2,6-Xylidine

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.1441185
• LogD (pH = 7.4): 2.1708114
• Log P: 2.1711626
• 摩尔折射率: 40.8408 cm^3
• 极化性: 15.028994 Å^3
• 极化表面积: 26.02 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

• 外观: Clear to yellow redish liquid
• 熔点: 10-12 °C(lit.); 10-12°C; 11°C; 11.45°C; 11°C
• 沸点: 214 °C/739 mmHg(lit.); 214°C/739mm; 215°C; 216°C; 216°C
• 闪点: 195.8 °F; 91 °C; 91°C; 91°C(195°F)
• 密度: 0.98 g/ml; 0.981; 0.984; 0.984 g/mL at 25 °C(lit.); 0.9842 g/mL
• 折射率: 1.5600; n20/D 1.560; n20/D 1.560(lit.)
• 蒸汽压: <0.01 mmHg ( 20 °C)

安全信息

• 保存注意事项: IRRITANT; Toxic/Harmful/Irritant/Carcinogenic/Light Sensitive/Keep Cold
• RTECS编号: ZE9275000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1711; UN1711
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 20/21/22-37/38-40-51/53; R:22-45
• 安全公开号: 23-25-36/37-61; S:28-36/37/39-45-53
• TSCA收录: false; 是
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Warning
• GHS危险声明: H302 + H312 + H332-H315-H335-H351-H411; H351-H302-H312-H332-H315-H335-H227-H401-H411
• GHS警示性声明: P260-P280H-P262-P273; P261-P273-P280
• 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 1711 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 95+%; 98%; 99%
• 级别: analytical standard; PESTANAL®, analytical standard; purum
• 包装: ampule of 1000 mg
• 线性分子式: (CH3)2C6H3NH2

详细说明

MP Biomedicals - 05208373

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D146005

包装
5, 100, 500 g in glass bottle

Sigma Aldrich - 36766

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

参考文献

• Hindered aromatic amines do not form imines by direct reaction with benzophenones. An indirect route involves formation of the imine with an aldehyde, introduction of the second aryl group by 1,2-addition of the aryllithium and dehydrogenation of the resulting secondary amine with DDQ: J. Org. Chem., 54, 2464 (1989).