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4(5)-(Iodoacetamido)fluorescein

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Name

4(5)-(Iodoacetamido)fluorescein

EINECS N/A
CAS No. 63368-54-7 Density 1.95 g/cm3
PSA 116.84000 LogP 4.41510
Solubility N/A Melting Point 265-267 °C (dec.)(lit.)
Formula C22H14 I N O6 Boiling Point 788.4 °C at 760 mmHg
Molecular Weight 515.261 Flash Point 430.6 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 63368-54-7 (5-IAF) Hazard Symbols N/A
Synonyms

Spiro[isobenzofuran-1(3H),9'-[9H]xanthene],acetamide deriv.;5-IAF;5-Iodoacetamidofluorescein;5-IAF ,5-Iodoacetamidofluorescein;IAF;4-(iodoacetamido)fluorescein;Fluorescein-5-iodoacetamide;4(5)-(IODOACETAMIDO)FLUORESCEIN;

 

4(5)-(Iodoacetamido)fluorescein Specification

The 4(5)-(Iodoacetamido)fluorescein with cas registry number of 63368-54-7, is also called Spiro[isobenzofuran-1(3H),9'-[9H]xanthene],acetamide deriv. ; 5-Iodoacetamidofluorescein .

Physical properties of 4(5)-(Iodoacetamido)fluorescein : (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 186.43; (6)ACD/BCF (pH 7.4): 173.72; (7)ACD/KOC (pH 5.5): 1468.01; (8)ACD/KOC (pH 7.4): 1367.9; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.3 Å2; (13)Index of Refraction: 1.813; (14)Molar Refractivity: 113.94 cm3; (15)Molar Volume: 263.4 cm3; (16)Polarizability: 45.17×10-24cm3; (17)Surface Tension: 97.2 dyne/cm; (18)Enthalpy of Vaporization: 118.69 kJ/mol; (19)Vapour Pressure: 8.36E-26 mmHg at 25°C .

Its storage temperature is 20°C.

When you are using this chemical, please be cautious about it as the following:
4(5)-(Iodoacetamido)fluorescein is also harmful by inhalation and if swallowed. So avoid to breathe dust.When use it, avoid contact with skin and eyes and do not breathe vapour.

You can still convert the following datas into molecular structure:(1)SMILES:ICC(=O)Nc1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34; (2)InChI:InChI=1/C22H14INO6/c23-10-20(27)24-11-1-4-15-14(7-11)21(28)30-22(15)16-5-2-12(25)8-18(16)29-19-9-13(26)3-6-17(19)22/h1-9,25-26H,10H2,(H,24,27); (3)InChIKey:UATCLPJEZJKNHE-UHFFFAOYAD; (4)Std. InChI:InChI=1S/C22H14INO6/c23-10-20(27)24-11-1-4-15-14(7-11)21(28)30-22(15)16-5-2-12(25)8-18(16)29-19-9-13(26)3-6-17(19)22/h1-9,25-26H,10H2,(H,24,27); (5)Std. InChIKey:UATCLPJEZJKNHE-UHFFFAOYSA-N.

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