9H-xanthen-9-one

• ChemBase编号: 72996
• 分子式: C13H8O2
• 平均质量: 196.20142
• 单一同位素质量: 196.0524295
• SMILES: c1ccc2c(c1)c(=O)c1c(o2)cccc1
• Canonical SMILES: O=c1c2ccccc2oc2c1cccc2
• InChI: InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
• InChIKey: JNELGWHKGNBSMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-xanthen-9-one
• IUPAC传统名: 9H-xanthen-9-one; xanthone
• 别名: 氧杂蒽酮; 呫吨酮; 氧杂蒽酮; 9-Xanthenone; Xanthone; Genicide; Benzophenone oxide; Diphenylene ketone oxide; Xanthone; 9-oxo-xanthene; diphenyline ketone oxide; Xanthen-9-one

登记号

• CAS号: 90-47-1
• EC号: 201-997-7
• MDL号: MFCD00005060
• Beilstein号: 140443
• 默克索引号: 1410062
• PubChem SID: 162037916; 24902151; 24890164
• PubChem CID: 7020
• CHEBI ID: 37647
• CHEMBL: 186784
• Chemspider ID: 6753
• 维基百科标题: Xanthone

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.9596403
• LogD (pH = 7.4): 2.9596403
• Log P: 2.9596403
• 摩尔折射率: 56.8163 cm^3
• 极化性: 21.98814 Å^3
• 极化表面积: 26.3 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: sl. sol. in hot water
• 外观: off-white solid
• 熔点: 172-174 °C(lit.); 172-177 °C; 174°C; 174-176°C; 174-178°C
• 沸点: 349-350 °C/730 mmHg(lit.); 349-350°C/730mm; 350-351°C; 351°C

安全信息

• 保存条件: -20°C; Room Temperature (15-30°C)
• 保存注意事项: Irritant
• RTECS编号: ZD5711000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22; R36/37/38
• 安全公开号: S26 S37
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

药理学性质

• 相关基因信息: mouse ... Prkch(18755)

产品相关信息

• 纯度: ≥97.0% (HPLC); 97%; 98%; 99%
• 级别: purum
• 成盐信息: Free Base
• 杂质: ≤0.5% xanthene
• Empirical Formula (Hill Notation): C13H8O2
• 分类: Rare Genuine Natural Compounds

详细说明

MP Biomedicals - 05219996

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158305

Purity: 98%

Selleck Chemicals - S2372

Research Area: Cardiovascular Disease
Biological Activity:
Xanthone is an organic compound. It can be prepared by the heating of phenyl salicylate. In 1939, xanthone was introduced as an insecticide and it currently finds uses as ovicide for codling moth eggs and as a larvicide. Xanthone is also used in the preparation of xanthydrol, which is used in the determination of urea levels in the blood. [1]

Sigma Aldrich - X600

包装
25 g in poly bottle

参考文献

• http://en.wikipedia.org/wiki/Xanthone