Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy- supplier

Name
5-(4,6-DICHLORO-S-TRIAZIN-2-YLAMINO)FLUORESCEIN-HYDROCHLORIDE
EINECS
CAS No. 51306-35-5
Article Data8
CAS DataBase
Density 1.81g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4,6-Dichlorotriazinyl)aminofluorescein;5-[(4,6-Dichlorotriazin-2-yl)amino]fluorescein;DF 365;DTAF;NSC 378139;
PSA 138.44000
LogP 6.07900

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy- Specification

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

Product Name

5-(4,6-DICHLORO-S-TRIAZIN-2-YLAMINO)FLUORESCEIN-HYDROCHLORIDE

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy- Specification

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