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132201-84-4

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Basic Information
CAS No.: 132201-84-4
Name: 5(6)-CARBOXYEOSIN FOR FLUORESCENCE
Molecular Structure:
Molecular Structure of 132201-84-4 (5(6)-CARBOXYEOSIN FOR FLUORESCENCE)
Formula: C21H8Br4O7
Molecular Weight: 691.90
Synonyms: 4-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid;
Density: 2.49 g/cm3
Boiling Point: 759.7 °C at 760 mmHg
Flash Point: 413.3 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 250.08000
LogP: 13.43360
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Specification

The 5(6)-Carboxyeosin for fluorescence is an organic compound with the formula C21H8Br4O7. The systematic name of this chemical is 4-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid. The CAS registry number of this chemical is 132201-84-4. Besides, its molecular weight is 691.90.

The physical properties of 5(6)-Carboxyeosin for fluorescence are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 88.13 Å2; (7)Index of Refraction: 1.86; (8)Molar Refractivity: 125.21 cm3; (9)Molar Volume: 277.7 cm3; (10)Polarizability: 49.63×10-24 cm3; (11)Surface Tension: 115.5 dyne/cm; (12)Density: 2.49 g/cm3; (13)Flash Point: 413.3 °C; (14)Enthalpy of Vaporization: 116.11 kJ/mol; (15)Boiling Point: 759.7 °C at 760 mmHg; (16)Vapour Pressure: 2.93E-24 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c4ccc(C=1c3cc(Br)c(O)c(Br)c3OC=2C=1\C=C(\Br)C(=O)C=2Br)c(C(=O)O)c4
(2)InChI: InChI=1/C21H8Br4O7/c22-11-4-9-13(7-2-1-6(20(28)29)3-8(7)21(30)31)10-5-12(23)17(27)15(25)19(10)32-18(9)14(24)16(11)26/h1-5,26H,(H,28,29)(H,30,31)
(3)InChIKey: PIGNWBKQQJAWNG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C21H8Br4O7/c22-11-4-9-13(7-2-1-6(20(28)29)3-8(7)21(30)31)10-5-12(23)17(27)15(25)19(10)32-18(9)14(24)16(11)26/h1-5,26H,(H,28,29)(H,30,31)
(5)Std. InChIKey: PIGNWBKQQJAWNG-UHFFFAOYSA-N