tetrabromocyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 51432
• 分子式: C6Br4O2
• 平均质量: 423.679
• 单一同位素质量: 419.66317724
• SMILES: C1(=C(Br)C(=O)C(=C(C1=O)Br)Br)Br
• Canonical SMILES: BrC1=C(Br)C(=O)C(=C(C1=O)Br)Br
• InChI: InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
• InChIKey: LWHDQPLUIFIFFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetrabromocyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: bromanyl
• 别名: 对四溴苯醌; p-Bromanil; 2,3,5,6-Tetrabromo-2,5-cyclohexadiene-1,4-dione; Tetrabromo-1,4-benzoquinone; Tetrabromo-p-benzoquinone; Tetrabromo-p-quinone; Tetrabromobenzoquinone; Tetrabromoquinone; 3,4,5,6-Tetrabromocyclohexadiene-1,2-dione; NSC 36927; Bromanil; Tetrabromo-1,4-benzoquinone; 2,3,5,6-Tetrabromocyclohexa-2,5-diene-1,4-dione

登记号

• CAS号: 488-48-2
• EC号: 207-679-4
• MDL号: MFCD00013785
• Beilstein号: 1912183
• PubChem SID: 162056195
• PubChem CID: 68101

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.238755
• LogD (pH = 7.4): 3.238755
• Log P: 3.238755
• 摩尔折射率: 61.466 cm^3
• 极化性: 23.192427 Å^3
• 极化表面积: 34.14 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: Acetone; DMSO
• 外观: Yellow Solid
• 熔点: 302-303°C; ca 300°C dec.

安全信息

• 保存条件: Amber Vial, -20°C Freezer
• 保存注意事项: IRRITANT; Light Sensitive
• RTECS编号: DK6772500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37-60
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 95%; 95+%

详细说明

Toronto Research Chemicals - B678400

A halogenated benxoquinone that is an effective inhibitor of photosynthetic electron transport through the spinach photosystem II and the cytochrome b6/f-complex.

参考文献

• Oettmeier, W. et al.: Biochim. Biophys. Acta, Bioenerg., 890, 260 (1987)
• Soll, H.J. et al.: Adv. Photosynth. Res. Proc. Int. Congr. Photosynth., 4, 5 (1987)
• High-potential quinone, compare p-Chloranil, A13495, useful e.g. in dehydrogenation reactions.