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Name |
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(acetyloxy)-2',7'-dichloro- |
EINECS | N/A |
CAS No. | 2044-85-1 | Density | 1.592 g/cm3 |
PSA | 88.13000 | LogP | 5.41200 |
Solubility | DMSO: soluble | Melting Point |
232-234 °C(lit.) |
Formula | C24H14Cl2O7 | Boiling Point | 657.913 °C at 760 mmHg |
Molecular Weight | 485.277 | Flash Point | 239.235 °C |
Transport Information | N/A | Appearance | off-white crystal powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Fluorescein,2',7'-dichloro-, diacetate (6CI,7CI,8CI);2',7'-Dichlorofluorescein diacetate;MFCD 37501; |
Article Data | 5 |
The CAS register number of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(acetyloxy)-2',7'-dichloro- is 2044-85-1. It also can be called as 3',6'-Bis(acetyloxy)-2',7'-dichlorospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one and the IUPAC name about this chemical is 6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate. The molecular formula about this chemical is C24H14Cl2O7 and the molecular weight is 485.27. It belongs to the following product categories which include Fluorescein and Derivatives; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains and so on.
Physical properties about Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(acetyloxy)-2',7'-dichloro- are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.881; (3)ACD/LogD (pH 7.4): 2.881; (4)ACD/BCF (pH 5.5): 91.086; (5)ACD/BCF (pH 7.4): 91.086; (6)ACD/KOC (pH 5.5): 879.401; (7)ACD/KOC (pH 7.4): 879.401; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 88.13Å2; (11)Index of Refraction: 1.693; (12)Molar Refractivity: 116.817 cm3; (13)Molar Volume: 304.753 cm3; (14)Polarizability: 46.31x10-24cm3; (15)Surface Tension: 73.129 dyne/cm; (16)Enthalpy of Vaporization: 96.852 kJ/mol; (17)Boiling Point: 657.913 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1cc2c(cc1Cl)C3(c4ccccc4C(=O)O3)c5cc(c(cc5O2)OC(=O)C)Cl
(2)InChI: InChI=1/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3
(3)InChIKey: VQVUBYASAICPFU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3
(5)Std. InChIKey: VQVUBYASAICPFU-UHFFFAOYSA-N