1,11-bis(pentafluorophenyl)-2,10-dioxa-3,9-diazaundeca-3,8-diene

• ChemBase ID: 156346
• Molecular Formular: C19H12F10N2O2
• Molecular Mass: 490.294812
• Monoisotopic Mass: 490.07390983
• SMILES: C(C/C=N/OCc1c(c(c(c(c1F)F)F)F)F)C/C=N/OCc1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(CO/N=C/CCC/C=N/OCc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C19H12F10N2O2/c20-10-8(11(21)15(25)18(28)14(10)24)6-32-30-4-2-1-3-5-31-33-7-9-12(22)16(26)19(29)17(27)13(9)23/h4-5H,1-3,6-7H2
• InChIKey: YAGVMVPKFZBARN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,11-bis(pentafluorophenyl)-2,10-dioxa-3,9-diazaundeca-3,8-diene
• IUPAC Traditional name: 1,11-bis(pentafluorophenyl)-2,10-dioxa-3,9-diazaundeca-3,8-diene
• Synonyms: Glutaraldehyde-O-2,3,4,5,6-PFBHA-Oxime; Glutaraldehyde bis-(O-pentafluorophenylmethyloxime); 戊二醛双(O-五氟苯基甲基肟)

Database IDs

• CAS Number: 932710-48-0
• MDL Number: MFCD09265182
• PubChem SID: 162250484; 24845567
• PubChem CID: 16211058

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3796597
• LogD (pH = 7.4): 5.379699
• Log P: 5.3796997
• Molar Refractivity: 94.2844 cm^3
• Polarizability: 33.83381 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC)
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C19H12F10N2O2