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Name |
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy- |
EINECS | N/A |
CAS No. | 51306-35-5 | Density | 1.81g/cm3 |
PSA | 138.44000 | LogP | 6.07900 |
Solubility | N/A | Melting Point |
>325°C |
Formula | C23H12Cl2N4O5 | Boiling Point | 834.4 °C at 760 mmHg |
Molecular Weight | 568.19 | Flash Point | 458.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(4,6-Dichlorotriazinyl)aminofluorescein;5-[(4,6-Dichlorotriazin-2-yl)amino]fluorescein;DF 365;DTAF;NSC 378139; |
Article Data | 8 |
The 5-(4,6-Dichlorotriazinyl)aminofluorescein, with CAS registry number 51306-35-5, has the systematic name of 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one. And its IUPAC name is 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one. This chemical should be stored at the temperature of 2-8°C.
Physical properties of 5-(4,6-Dichlorotriazinyl)aminofluorescein: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 197.94; (6)ACD/BCF (pH 7.4): 183.52; (7)ACD/KOC (pH 5.5): 1532.3; (8)ACD/KOC (pH 7.4): 1420.71; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 95.9 Å2; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 119.4 cm3; (15)Molar Volume: 273.3 cm3; (16)Polarizability: 47.33×10-24cm3; (17)Surface Tension: 117.9 dyne/cm; (18)Enthalpy of Vaporization: 125.43 kJ/mol; (19)Vapour Pressure: 4.24E-29 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)n1)Nc2cc3c(cc2)C5(OC3=O)c6ccc(O)cc6Oc4cc(O)ccc45
(2)InChI: InChI=1/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-10-1-4-14-13(7-10)19(32)34-23(14)15-5-2-11(30)8-17(15)33-18-9-12(31)3-6-16(18)23/h1-9,30-31H,(H,26,27,28,29)
(3)InChIKey: HWQQCFPHXPNXHC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-10-1-4-14-13(7-10)19(32)34-23(14)15-5-2-11(30)8-17(15)33-18-9-12(31)3-6-16(18)23/h1-9,30-31H,(H,26,27,28,29)
(5)Std. InChIKey: HWQQCFPHXPNXHC-UHFFFAOYSA-N