[2,7-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-9H-fluoren-9-yl]methyl chloroformate

• ChemBase ID: 140556
• Molecular Formular: C31H17ClF26O2
• Molecular Mass: 950.8769632
• Monoisotopic Mass: 950.05019118
• SMILES: c1cc2c(cc1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(c1c2ccc(c1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)Cl
• Canonical SMILES: ClC(=O)OCC1c2cc(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)ccc2c2c1cc(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc2
• InChI: InChI=1S/C31H17ClF26O2/c32-19(59)60-11-18-16-9-12(5-7-20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(53,54)55)1-3-14(16)15-4-2-13(10-17(15)18)6-8-21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)31(56,57)58/h1-4,9-10,18H,5-8,11H2
• InChIKey: ZJELYAAWYLRRJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,7-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-9H-fluoren-9-yl]methyl chloroformate
• IUPAC Traditional name: [2,7-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-9H-fluoren-9-yl]methyl chloroformate
• Synonyms: Chlorameisensäure-[1,8-bis-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluornonyl)-9-fluorenyl]-methyl-ester; F26 Fmoc-Cl; [1,8-Bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-9-fluorenyl]methyl chloroformate; 2,7-Bis(1H,1H,2H,2H-perfluorooctyl)-9-fluorenylmethoxycarbonyl chloride; [1,8-双(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基)-9-芴基]氯甲酸甲酯; 2,7-双(1H,1H,2H,2H-全氟辛基)-9-芴基甲氧基碳酰氯

Database IDs

• CAS Number: 932710-57-1
• MDL Number: MFCD09265064
• PubChem SID: 24885113; 162234800
• PubChem CID: 16218245

CALCULATED PROPERTIES

• Acid pKa: 17.108397
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 13.886347
• LogD (pH = 7.4): 13.886347
• Log P: 13.886347
• Molar Refractivity: 148.6984 cm^3
• Polarizability: 55.555428 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 88-92 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97% (H-NMR)
• Empirical Formula (Hill Notation): C31H17ClF26O2

DETAILS

Sigma Aldrich - 672262

Packaging
1 g in glass bottle
Legal Information
Product of Fluorous Technologies, Inc.