9H-fluoren-9-ylmethyl pentafluorophenyl carbonate

• ChemBase编号: 11929
• 分子式: C21H11F5O3
• 平均质量: 406.302256
• 单一同位素质量: 406.06283531
• SMILES: c1(c(c(c(c(c1F)OC(=O)OCC1c2c(c3c1cccc3)cccc2)F)F)F)F
• Canonical SMILES: O=C(Oc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H11F5O3/c22-15-16(23)18(25)20(19(26)17(15)24)29-21(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
• InChIKey: CBBKZVZOEBSFQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-fluoren-9-ylmethyl pentafluorophenyl carbonate
• IUPAC传统名: 9H-fluoren-9-ylmethyl pentafluorophenyl carbonate
• 别名: 9-芴甲基五氟苯基碳酸酯; 芴甲氧羰基五氟苯基酯; 芴甲氧羰基五氟苯基酯; 9-芴甲基五氟苯基碳酸酯; 9-Fluorenylmethyl pentafluorophenyl carbonate; Fmoc-OPfp; Fmoc pentafluorophenyl ester; Fmoc pentafluorophenyl ester; 9-Fluorenylmethyl pentafluorophenyl carbonate; (Fluoren-9-yl)methyl pentafluorophenyl carbonate 98%

登记号

• CAS号: 88744-04-1
• MDL号: MFCD00013261
• Beilstein号: 4594899
• PubChem SID: 160975236; 24859083
• PubChem CID: 2733201

理论计算性质

• Acid pKa: 17.125717
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.0991983
• LogD (pH = 7.4): 6.0991983
• Log P: 6.0991983
• 摩尔折射率: 92.9084 cm^3
• 极化性: 35.55917 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 83-86°C; 85-87 °C(lit.); 85-87°C
• 闪点: >110°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C21H11F5O3

详细说明

Sigma Aldrich - 317535

包装
5 g in glass bottle
Application
用于氨基酸保护活化的试剂。1