dipentafluorophenyl oxalate

• ChemBase编号: 94105
• 分子式: C14F10O4
• 平均质量: 422.131432
• 单一同位素质量: 421.96369068
• SMILES: Fc1c(c(c(c(c1F)F)OC(=O)C(=O)Oc1c(c(c(c(c1F)F)F)F)F)F)F
• Canonical SMILES: O=C(C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Oc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C14F10O4/c15-1-3(17)7(21)11(8(22)4(1)18)27-13(25)14(26)28-12-9(23)5(19)2(16)6(20)10(12)24
• InChIKey: YMTUYHWOWDFXOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dipentafluorophenyl oxalate
• IUPAC传统名: dipentafluorophenyl oxalate
• 别名: Bis(pentafluorophenyl)oxalate 99%; Pentafluorophenyl oxalate; Bis(pentafluorophenyl) oxalate

登记号

• CAS号: 16536-48-4
• MDL号: MFCD00143774
• Beilstein号: 2068395
• PubChem SID: 24890274; 162080760
• PubChem CID: 2736057

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.2376394
• LogD (pH = 7.4): 5.2376394
• Log P: 5.2376394
• 摩尔折射率: 65.696 cm^3
• 极化性: 24.152885 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

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

产品相关信息

• 适用性: suitable for chemiluminescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C14F10O4

详细说明

Apollo Scientific Ltd - PC1235E

Chemiluminescence Reagent

Sigma Aldrich - 96189

Analysis Note
Chemiluminescence: Emission: 430 nm (reaction of TCPO with 9,10-Diphenylanthracene and H2O2)
Other Notes
Reagent for a sensitive detn. method of fluorescent compds. by peroxyoxalate ester chemiluminescence in HPLC and CE1,2