5(6)-CARBOXYFLUORESCEIN DIACETATE

Molecule structure of 5-Carboxyfluorescein diacetate (CAS NO.79955-27-4):

IUPAC Name: 3',6'-Diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylicacid
Molecular Weight: 460.38914 [g/mol]
Molecular Formula: C₂₅H₁₆O₉ 
Index of Refraction: 1.701
Molar Refractivity: 113.43 cm³
Molar Volume: 292.8 cm³ 
Storage temp.: 2-8 °C
Solubility DMSO: soluble
Polarizability: 44.97×10^-24 cm³
Surface Tension: 80.5 dyne/cm
Density: 1.57 g/cm³
Flash Point: 241.9 °C
Enthalpy of Vaporization: 106.64 kJ/mol
Boiling Point: 693.1 °C at 760 mmHg
Vapour Pressure: 3.61E-20 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 9
Rotatable Bond Count: 5
Exact Mass: 460.079432
MonoIsotopic Mass: 460.079432
Topological Polar Surface: Area 125
Heavy Atom Count: 34
Complexity: 828
Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C
InChI: InChI=1S/C25H16O9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)25(19)18-6-3-14(23(28)29)9-17(18)24(30)34-25/h3-11H,1-2H3,(H,28,29)
InChIKey of 5-Carboxyfluorescein diacetate (CAS NO.79955-27-4): WPUZGNPQMIWOHE-UHFFFAOYSA-N

Hazard Codes: T
Risk Statements: 45-46-23/24/25-36/37/38 
R45:May cause cancer. 
R46:May cause heritable genetic damage. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 53-22-26-36/37/39-45 
S53:Avoid exposure - obtain special instructions before use. 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
F: 10-21

 5-Carboxyfluorescein diacetate (CAS NO.79955-27-4) is also named as 3',6'-Bis(acetyloxy)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid ; Cfda-5 ; Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6'-bis(acetyloxy)-3-oxo- ; 3',6'-bis(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid .