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Benzoic acid,2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- (4091-99-0)

Identification
Name:Benzoic acid,2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-
Synonyms:Benzoicacid, o-(2,7-dichloro-3,6-dihydroxyxanthen-9-yl)-, diacetate (7CI,8CI);2',7'-Dichlorodihydrofluorescein diacetate;2',7'-Dichlorofluorescin diacetate;H2DCFDA;2-(2,7-dichloro-3,6-diacetyloxy-9h-xanthen-9-yl)-benzoic acid;
CAS:4091-99-0
Molecular Formula: C24H16 Cl2 O7
Molecular Weight: 487.28564
InChI: InChI=1/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30)
Molecular Structure: (C24H16Cl2O7) Benzoicacid, o-(2,7-dichloro-3,6-dihydroxyxanthen-9-yl)-, diacetate (7CI,8CI);2',7'-Dichlorodihydrof...
Properties
Melting Point: 209-210 °C(lit.)
Flash Point: 312.7°C
Boiling Point: 593.5°Cat760mmHg
Density:1.463g/cm3
Refractive index:1.635
Specification:

The 2,7-Dichlorodihydrofluorescein diacetate with cas registry number of 4091-99-0, is also called Benzoicacid, o-(2,7-dichloro-3,6-dihydroxyxanthen-9-yl)-, diacetate (7CI,8CI) ; 2-(2,7-dichloro-3,6-diacetyloxy-9h-xanthen-9-yl)-benzoic acid .

Physical properties of 2,7-Dichlorodihydrofluorescein diacetate :(1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 37.67; (6)ACD/BCF (pH 7.4): 1.82; (7)ACD/KOC (pH 5.5): 153.06; (8)ACD/KOC (pH 7.4): 7.4; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 88.13 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 119.24 cm3; (15)Molar Volume: 332.9 cm3; (16)Polarizability: 47.27×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Enthalpy of Vaporization: 93.05 kJ/mol; (19)Vapour Pressure: 6.24E-15 mmHg at 25°C .

When you are using this chemical, please be cautious about it as the following:  When use it, avoid contact with skin and eyes and do not breathe dust.

You can still convert the following datas into molecular structure: (1)SMILES:O=C(O)c1ccccc1C3c4c(Oc2c3cc(Cl)c(OC(=O)C)c2)cc(OC(=O)C)c(Cl)c4; (2)InChI:InChI=1/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30); (3)InChIKey:PXEZTIWVRVSYOK-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C24H16Cl2O7/c1-11(27)31-21-9-19-15(7-17(21)25)23(13-5-3-4-6-14(13)24(29)30)16-8-18(26)22(32-12(2)28)10-20(16)33-19/h3-10,23H,1-2H3,(H,29,30); (5)Std. InChIKey:PXEZTIWVRVSYOK-UHFFFAOYSA-N .

Flash Point: 312.7°C
Storage Temperature: −20°C
Safety Data
 

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