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

• ChemBase编号: 85717
• 分子式: C26H20N2O2
• 平均质量: 392.4492
• 单一同位素质量: 392.15247789
• SMILES: n1c(c2ccc(cc2)c2nc(c(o2)c2ccccc2)C)oc(c1C)c1ccccc1
• Canonical SMILES: Cc1nc(oc1c1ccccc1)c1ccc(cc1)c1nc(c(o1)c1ccccc1)C
• InChI: InChI=1S/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3
• InChIKey: VLDFXDUAENINOO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• IUPAC传统名: 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole
• 别名: 1,4-双(4-甲基-5-苯基恶唑-2-基)苯; 二甲基-POPOP; 1,4-双(4-甲基-5-苯基-2-噁唑基)苯; Dimethyl-POPOP; 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene; 4-methyl-2-[4-(4-methyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole; 1,4-BIS 2-(4-METHYL-5-PHENYLOXAZOLYL)BENZENE; 1, 4-bis-2-(4-methyl-5-phenyloxazolyl) benzene; 1,4-Bis(4-methyl-5-phenyl-2-oxazolyl)benzene

登记号

• CAS号: 3073-87-8
• EC号: 221-349-7
• MDL号: MFCD00005310
• Beilstein号: 629905
• PubChem SID: 24898462; 162072833
• PubChem CID: 76491

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3037553
• LogD (pH = 7.4): 5.3037624
• Log P: 5.3037624
• 摩尔折射率: 136.8904 cm^3
• 极化性: 48.45954 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: 233-235 °C(lit.); 233-235°C; 234-237 °C

安全信息

• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0% (UV); 98%
• 级别: puriss.
• 适用性: suitable for scintillation
• Empirical Formula (Hill Notation): C26H20N2O2

详细说明

MP Biomedicals - 05204338

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P3879

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.

Sigma Aldrich - 222917

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.

Sigma Aldrich - 15080

Application
Dimethyl-POPOP is used as a scintillator reagent 1,2 and included in an extractive scintillating resin in a column matrix 3.