Basic information
- Name:
Acetamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-2-iodo-
- Superlist Name:
- 4(5)-(Iodoacetamido)fluorescein
- CAS No.:
63368-54-7
- Molecular Structure:
![Molecular Structure of 63368-54-7 (Acetamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-2-iodo-)](http://www.lookchem.com/300w/2010/0623/63368-54-7.jpg)
- Formula:
- C22H14 I N O6
- Molecular Weight:
- 515.2541
- 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;
- Density:
- 1.95 g/cm3
- Melting Point:
- 265-267 °C (dec.)(lit.)
- Boiling Point:
- 788.4 °C at 760 mmHg
- Flash Point:
- 430.6 °C
- Safety Description:
- 22-24/25 Details
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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.
