9,10-dihydrophenanthrene-9,10-dione

• ChemBase编号: 104493
• 分子式: C14H8O2
• 平均质量: 208.21212
• 单一同位素质量: 208.0524295
• SMILES: O=C1C(=O)c2c(cccc2)c2ccccc12
• Canonical SMILES: O=C1C(=O)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
• InChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9,10-dihydrophenanthrene-9,10-dione
• IUPAC传统名: 9,10-phenanthrenequinone
• 别名: 9,10-菲二酮; 9,10-菲醌; 9,10-Phenanthrenequinone; 9,10-Phenanthrenedione; PHENANTHRENEQUINONE; Phenanthrene-9,10-dione

登记号

• CAS号: 84-11-7
• EC号: 201-515-5
• MDL号: MFCD00001163
• Beilstein号: 608838
• 默克索引号: 147213
• PubChem SID: 24849615; 162091073; 24856622
• PubChem CID: 6763

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.9187062
• LogD (pH = 7.4): 2.9187062
• Log P: 2.9187062
• 摩尔折射率: 61.151 cm^3
• 极化性: 24.370733 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

• 熔点: 207-212°C; 209-211°C; 209-212 °C; 209-212 °C(lit.)
• 沸点: > 300°C; >360°C
• 闪点: 241 °C; 245°C(473°F); 465.8 °F
• 密度: 1.405; 1.405 g/ml @ 4°C
• 紫外吸收波长: λmax 420 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: SF7875000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 危险公开号: 36/37/38; 36-50
• 安全公开号: 26-36; 26-57-60
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H400-H319
• GHS警示性声明: P261-P305 + P351 + P338; P280-P273-P264-P305+P351+P338-P337+P313-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: human ... PTPN1(5770), PTPRC(5788)

产品相关信息

• 纯度: ≥90% (HPLC); ≥98.0% (HPLC); ≥99%; 80%; 95%; 95+%
• 级别: for fluorescence; purum; technical; technical grade
• 杂质: <0.1% anthraquinone
• Empirical Formula (Hill Notation): C14H8O2

详细说明

MP Biomedicals - 02156134

(9,10-Phenanthrenedione)

Sigma Aldrich - 275034

包装
25, 100 g in glass bottle

Sigma Aldrich - 156507

包装
5, 25 g in glass bottle

Sigma Aldrich - 77478

Other Notes
脱氢反应试剂1；精氨酸荧光测定2

参考文献

• Specific, highly sensitive reagent for arginine and arginyl peptides: Biochem. Biophys. Acta, 130, 538 (1966).
• Reagent for dehydrogenation, e.g. of thiazolines to thiazoles in high yield: J. Chem. Soc.(C), 1061 (1966). Review: Chem. Rev., 78, 317 (1978).
• Like 1,2-Cyclohexanedione, A14401, has been used by Ley's group for protection of trans-1,2-diols as cyclic diacetals. The method is particularly applicable to the carbohydrate field: Synlett, 793 (1996); J. Chem. Soc., Perkin 1, 2023 (1997):