1,4-dimethoxybenzene

• ChemBase编号: 89384
• 分子式: C8H10O2
• 平均质量: 138.1638
• 单一同位素质量: 138.06807956
• SMILES: O(c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)OC
• InChI: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
• InChIKey: OHBQPCCCRFSCAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-dimethoxybenzene
• IUPAC传统名: 1,4-dimethoxybenzene
• 别名: 二甲基氢醌; 氢醌二甲醚; 1,4-二甲氧基苯; 1,4-Dimethoxybenzene; Dimethylhydroquinone; 1,4-Dimethoxybenzene; Hydroquinone dimethyl ether; p-Methoxyanisole; 2-Benzimidazolinone; Dimethyl ether hydroquinone; USAF AN-9; Dimethylhydroquinone ether; Quinol dimethyl ether; p-Dimethoxybenzene; p-DIMETHOXYBENZENE

登记号

• CAS号: 150-78-7
• EC号: 205-771-9
• MDL号: MFCD00008401
• Beilstein号: 774605
• PubChem SID: 162076264; 24901038; 24878430; 24893410
• PubChem CID: 9016
• Chemspider ID: 8666
• FEMA编号: 2386
• 美国药典/FDA物质标识码: 24WC6T6X0G
• 维基百科标题: 1,4-Dimethoxybenzene
• 欧洲委员会编号: 2059
• Flavis Number: 4.034

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.6579033
• LogD (pH = 7.4): 1.6579033
• Log P: 1.6579033
• 摩尔折射率: 38.9844 cm^3
• 极化性: 15.359867 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: dioxane: soluble0.1 g/mL, clear; Slightly soluble in water
• 外观: White crystals
• 熔点: 53 - 57°C; 53-57 °C; 54.7°C; 54-56 °C; 54-56 °C(lit.); 54-56°C; 54-58°C
• 沸点: 210°C; 212°C; 213 °C(lit.); 213°C
• 闪点: 125 °C; 125°C (257°F); 257 °F; 94°C(201°F)
• 自燃点: 1463 °F; 795°C (1463°F)
• 密度: 1.053; 1.053 g/cm^3; 1.053 g/mL at 25 °C(lit.)
• 蒸汽压: <1 mmHg ( 20 °C)
• 蒸汽密度: 4.8 (vs air)
• 粘度: 1.04 cP at 65 °C
• 感官: fennel; fatty

安全信息

• 保存注意事项: Light Sensitive
• RTECS编号: CZ6650000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38; 38; R36 R37 R38
• 安全公开号: 26-36; 37; S26 S37 S39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280G
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• Regulation Compliance: FDA 21 CFR (172.515)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥97.0% (GC); 98%; 99%
• 级别: Kosher; NI; purum; ReagentPlus®
• 线性分子式: C6H4(OCH3)2

详细说明

MP Biomedicals - 05205027

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W238600

包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

Sigma Aldrich - D131350

包装
1 kg in poly bottle
100, 500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

参考文献

• In contrast to the 1,3-isomer (see preceding entry), direct dilithiation with n-BuLi/TMEDA was successful, giving, with TMS chloride, the 2,5-disilyl derivative in 68% yield: J. Org. Chem., 49, 4657 (1984).
• 1,4-Dimethoxybenzene and its simple derivatives undergo anodic oxidation in methanol, to give bis-acetals of benzoquinones. For experimental details, see: Org. Synth. Coll., 6, 971 (1988). For a review of the chemistry of these bis-acetals and of the mono-acetals obtained by partial hydrolysis, see: Acc. Chem. Res., 16, 74 (1983).