2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic acid

• ChemBase编号: 155222
• 分子式: C24H16Cl2O7
• 平均质量: 487.28564
• 单一同位素质量: 486.02730821
• SMILES: CC(=O)Oc1cc2c(cc1Cl)C(c1cc(c(cc1O2)OC(=O)C)Cl)c1ccccc1C(=O)O
• Canonical SMILES: CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(cc3C(c2cc1Cl)c1ccccc1C(=O)O)Cl
• InChI: InChI=1S/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30)
• InChIKey: PXEZTIWVRVSYOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic acid
• IUPAC传统名: 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic acid
• 别名: 2′,7′-Dichlorodihydrofluorescein diacetate; 2′,7′-Dichlorofluorescin diacetate; 2-[3,6-Bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]benzoic Acid; o-(2,7-Dichloro-3,6-dihydroxyxanthen-9-yl)benzoic Acid Diacetate; 2',7'-Dichlorodihydrofluorescein Diacetate; DCFH; H2DCFDA; 2',7'-Dichlorodihydrofluorescein Diacetate

登记号

• CAS号: 4091-99-0
• MDL号: MFCD00128955
• Beilstein号: 4610273
• PubChem SID: 24894058; 162249360
• PubChem CID: 77718

理论计算性质

• Acid pKa: 3.886385
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.4742775
• LogD (pH = 7.4): 1.8725264
• Log P: 5.0930986
• 摩尔折射率: 119.7522 cm^3
• 极化性: 46.35783 Å^3
• 极化表面积: 99.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97%
• Empirical Formula (Hill Notation): C24H16Cl2O7

详细说明

Sigma Aldrich - D6883

Frequently Asked Questions
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Application
A cell-permeable non-fluorescent probe. It is de-esterified intracellularly and turns to highly fluorescent 2′,7′-dichlorofluorescein upon oxidation.Applications: sensitive and rapid quantitation of oxygen-reactive species in response to oxidative metabolism; microplate assay for detecting oxidative products in phagocytic cells, and quantitative multiwell myeloid differentiation assay.

Toronto Research Chemicals - D434215

2',7'-Dichlorodihydrofluorescein as a cell-permeable non-fluorescent probe. It is de-esterified intracellularly and turns to highly fluorescent 2′,7′-dichlorofluorescein upon oxidation.

参考文献

• Lebel, C., et al.: Chem. Res. Toxicol., 5, 227 (1992)
• Kjaer, M., et al.: Lipids, 43, 813 (1992)
• Baron, C., et al.: J. Agric. Food Chem., 57, 4185 (1992)