5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole

• ChemBase编号: 85718
• 分子式: C24H16N2O2
• 平均质量: 364.39604
• 单一同位素质量: 364.12117776
• SMILES: n1c(c2ccc(cc2)c2ncc(o2)c2ccccc2)oc(c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccccc1
• InChI: InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
• InChIKey: MASVCBBIUQRUKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
• IUPAC传统名: popop
• 别名: 1,4-双(5-苯基-2-恶唑)苯; 2,2′-(1,4-亚苯基)双(5-苯基恶唑); 1,4-双(5-苯基-2-恶唑)苯; 1,4-双(5-苯基噁唑-2-基)苯; POPOP; Di(phenyl-5-oxazolyl-2)-1,4-benzene; 1,4-Bis(5-phenyl-2-oxazolyl)benzene; 2,2′-p-Phenylene-bis(5-phenyloxazole); 1,4-Bis(5-phenyl-2-oxazolyl)benzene; 1,4-BIS-2-(5-PHNYLOXAZOLYL)BENZENE; POPOP; 1,4-bis-(5-PHENYLOXAZOL-2-YL)BENZENE; 5-Phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole; 1,4-Bis(5-phenyl-1,3-oxazol-2-yl)benzene; 1,4-Bis(5-phenyloxazol-2-yl)benzene; 1,4-Bis(5-phenyloxazol-2-yl)benzene

登记号

• CAS号: 1806-34-4
• EC号: 217-304-6
• MDL号: MFCD00005309
• Beilstein号: 325741
• PubChem SID: 24898445; 162072834
• PubChem CID: 15732
• 维基百科标题: POPOP

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.0410123
• LogD (pH = 7.4): 5.041022
• Log P: 5.041022
• 摩尔折射率: 127.7074 cm^3
• 极化性: 44.93612 Å^3
• 极化表面积: 52.06 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 241-243°C; 242-246 °C(lit.); 243-246 °C; 244-246°C
• 紫外吸收波长: λmax 362 nm

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Harmful
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 22-36
• 安全公开号: 22-24/25-26
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (TLC); ≥99%; 95+%; 98%; 98+%
• 级别: purum
• 适用性: suitable for scintillation
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C24H16N2O2

详细说明

MP Biomedicals - 05205606

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195452

Used in liquid scintillation spectrometry

Sigma Aldrich - 257397

Application
Suitable as laser dye

Sigma Aldrich - 15150

Quantity
λmax. 358 nm, log ε 4.72
Application
POPOP is a fluorescent reagent that has been shown to be phototoxic against several types of microorganisms and, therefore, is capable of producing singlet oxygen 1. Utilized as a secondary scintillator in scintillation cocktails 2,3,4,5,6.

参考文献

• For scintillation work.