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CAS No.: | 4091-99-0 | ||||||
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Name: | 2' 7'-DICHLOROFLUORESCIN DIACETATE FOR& | ||||||
Molecular Structure: | |||||||
Formula: | C24H16 Cl2 O7 | ||||||
Molecular Weight: | 487.293 | ||||||
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; | ||||||
EINECS: | 685-843-8 | ||||||
Density: | 1.463g/cm3 | ||||||
Melting Point: | 209-210 °C(lit.) | ||||||
Boiling Point: | 593.5 °C at 760 mmHg | ||||||
Flash Point: | 312.7 °C | ||||||
Hazard Symbols: | Xi | ||||||
Risk Codes: | 36/37/38 | ||||||
Safety: |
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PSA: | 99.13000 | ||||||
LogP: | 5.82810 |
2',7'-dichlorodihydrofluorescein diacetate
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; under 760.051 Torr; for 18h; |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; | 61% |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; horseradish peroxidase In water | |
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 0.5 h / 20 °C 2: 3-(N-morpholino)propanesulfonic acid; cysteamine; air / CuSO4; 1,10-phenanthroline / 25 °C / pH 7 View Scheme | |
With Ac-IHIHIQI-CONH2; water; copper(II) ion pH=8; Kinetics; Reagent/catalyst; | |
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol 2: C35H29CuN3O4 / ethanol; aq. phosphate buffer / pH 7.4 View Scheme |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
2-(2,7-dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 20℃; for 0.5h; | |
With sodium hydroxide for 0.5h; cooling; | |
With sodium hydroxide In ethanol at 20℃; for 0.5h; Darkness; |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
2',7'-dichlorofluorescein
Conditions | Yield |
---|---|
With hemin; d(ATTGTGCGTCATCCCTTACGTCAGTGGAG), screened from Cauliflower mosaic virus (CaMV) 35S promoter; d(CTCCACTGACGTAATGGGTAGGG); d(GGGTTGGGCGGATGACGCACAAT); potassium chloride; ammonium acetate In water at 20℃; for 0.166667h; pH=7; aq. buffer; | |
With water; oxygen Irradiation; |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 18 h / 20 °C / Inert atmosphere 2: ammonium bicarbonate / tetrahydrofuran; methanol; water / 18 h / 20 °C / Inert atmosphere; Darkness View Scheme |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 18 h / 20 °C / Inert atmosphere 2: ammonium bicarbonate / tetrahydrofuran; methanol; water / 18 h / 20 °C / Inert atmosphere; Darkness 3: tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate / dichloromethane; water / 18 h / 20 °C / Inert atmosphere; Darkness View Scheme |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 18 h / 20 °C / Inert atmosphere 2: ammonium bicarbonate / tetrahydrofuran; methanol; water / 18 h / 20 °C / Inert atmosphere; Darkness 3: tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate / dichloromethane; water / 18 h / 20 °C / Inert atmosphere; Darkness 4: 2,3-dicyano-5,6-dichloro-p-benzoquinone / dichloromethane; water / 18 h / 20 °C / Inert atmosphere; Darkness View Scheme |
2,4-dimethoxylbenzyl alcohol
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; Inert atmosphere; | 149.4 mg |
2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 1 h / 20 °C 2: copper(II) sulfate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine; sodium L-ascorbate / tetrahydrofuran; water; ethanol / 2 h / 20 °C View Scheme |
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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 .