CAS No.956-48-9,2,6-DICHLOROPHENOLINDOPHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	956-48-9
Name:	2,6-DICHLOROPHENOLINDOPHENOL
Article Data:	3

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

Synthetic route

: 5930-28-9
4-amino-2,6-dichlorophenol

: 956-48-9
2,6-Dichlorophenolindophenol

Conditions

Conditions	Yield
With sodium hypochlorite

: 24857-20-3
2,6-dichloroindophenol acetate

: 956-48-9
2,6-Dichlorophenolindophenol

Conditions

Conditions	Yield
With human recombinant acetylcholinesterase; water In aq. phosphate buffer; ethanol pH=7.4; Enzymatic reaction;

: 956-48-9
2,6-Dichlorophenolindophenol

: 2099-87-8
2,6-Dichloroindophenol reduced

Conditions

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;

: 956-48-9
2,6-Dichlorophenolindophenol

: 572-09-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

A: 129253-64-1
2,6-dichlorophenolindophenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

B: 122078-53-9
phenolindo-3',5'-dichlorophenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With silver(l) oxide In benzene Heating;	A 38.8% B 10.8%

...Expand

: 956-48-9
2,6-Dichlorophenolindophenol

: 58-68-4
NADH

: 53-84-9
NAD

Conditions

Conditions	Yield
With ethylenediaminetetraacetic acid In various solvent(s) at 30℃; pH=8.0; Enzyme kinetics;

: 956-48-9
2,6-Dichlorophenolindophenol

: 50-81-7
ascorbic acid

A: 2099-87-8
2,6-Dichloroindophenol reduced

B: 490-83-5
L-dehydroascorbic acid

Conditions

Conditions	Yield
With hydrogenchloride In water pH=2 - 7; Kinetics; Time; aq. acetate buffer;

...Expand

: 956-48-9
2,6-Dichlorophenolindophenol

: 147-85-3
L-proline

A: 2099-87-8
2,6-Dichloroindophenol reduced

B: 64199-88-8
Δ1-pyrroline-5-carboxylic acid

Conditions

Conditions	Yield
With l-proline dehydrogenase In aq. buffer pH=8; Reagent/catalyst; Enzymatic reaction;

...Expand

Total:36 Page 1 of 1 1

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Specification

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 %.

The 2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]- can react with Tetra-O-acetyl-a-D-glucopyranosyl bromide to get 2,6-Dichlorophenolindophenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside

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