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CAS No.: | 956-48-9 |
---|---|
Name: | 2,6-DICHLOROPHENOLINDOPHENOL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H7Cl2NO2 |
Molecular Weight: | 268.099 |
Synonyms: | 2,6-Dichloro-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one; |
EINECS: | 213-479-8 |
Density: | 1.43 g/cm3 |
Boiling Point: | 393.5 °C at 760 mmHg |
Flash Point: | 191.8 °C |
PSA: | 49.66000 |
LogP: | 3.29280 |
Conditions | Yield |
---|---|
With sodium hypochlorite |
2,6-dichloroindophenol acetate
2,6-Dichlorophenolindophenol
Conditions | Yield |
---|---|
With human recombinant acetylcholinesterase; water In aq. phosphate buffer; ethanol pH=7.4; Enzymatic reaction; |
Conditions | Yield |
---|---|
With [NiIICl(N,N’-dimethyl-3,7-diazanonane-1,9-dithiolato)IrIIICl(η5-C5Me5)]; hydrogen In water at 60℃; under 6000.6 Torr; for 2h; pH=4 - 10; Catalytic behavior; Reagent/catalyst; pH-value; Temperature; Pressure; Glovebox; Schlenk technique; | 84% |
With hydrogen; [NiIICl(XN,N'-dimethyl-3,7-diazanonane-1,9-dithiolato)(μ-H)RhIII(η5-C5Me5)] In aq. phosphate buffer; water at 20℃; for 0.583333h; pH=7; Inert atmosphere; Schlenk technique; Glovebox; | 78% |
With phosphate buffer (NaH2PO4, Na2HPO4); potassium chloride; sodium thiosulfate In methanol; water at 30℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.); var. conc. of sodium thiosulphate and 2,6-dichlorophenolindophenol; |
2,6-Dichlorophenolindophenol
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
A
2,6-dichlorophenolindophenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
B
phenolindo-3',5'-dichlorophenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
Conditions | Yield |
---|---|
With silver(l) oxide In benzene Heating; | A 38.8% B 10.8% |
Conditions | Yield |
---|---|
With ethylenediaminetetraacetic acid In various solvent(s) at 30℃; pH=8.0; Enzyme kinetics; |
2,6-Dichlorophenolindophenol
ascorbic acid
A
2,6-Dichloroindophenol reduced
B
L-dehydroascorbic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water pH=2 - 7; Kinetics; Time; aq. acetate buffer; |
2,6-Dichlorophenolindophenol
L-proline
A
2,6-Dichloroindophenol reduced
B
Δ1-pyrroline-5-carboxylic acid
Conditions | Yield |
---|---|
With l-proline dehydrogenase In aq. buffer pH=8; Reagent/catalyst; Enzymatic reaction; |
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The 2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]-, with the CAS registry number of 956-48-9, is also known as 2,6-Dichloro-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one. Its EINECS registry number is 213-479-8. Its molecular formula is C12H7Cl2NO2 and molecular weight is 268.10. What's more, its IUPAC name is 4-(3,5-Dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one. This chemical's classification code is Indicators and Reagents. It is a dye used as a reagent in the determination of vitamin C.
Physical properties about the 2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.71; (6)ACD/BCF (pH 7.4): 16.67; (7)ACD/KOC (pH 5.5): 261.19; (8)ACD/KOC (pH 7.4): 260.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.66 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 66.7 cm3; (15)Molar Volume: 186.6 cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.43 g/cm3; (18)Flash Point: 191.8 °C; (19)Enthalpy of Vaporization: 66.85 kJ/mol; (20)Boiling Point: 393.5 °C at 760 mmHg; (21)Vapour Pressure: 9.34E-07 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2,6-Dichlorophenolindophenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside. This reaction needs reagent Ag2O. Meanwhile, it needs solvent Benzene. The yield is about 38.8 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl\C2=CC(=N/c1ccc(O)cc1)/C=C(/Cl)C2=O
(2) InChI: InChI=1/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H
(3) InChIKey: CCBICDLNWJRFPO-UHFFFAOYAL