2,6-Dichloroindophenol Sodium Salt Dihydrate - CAS 1082681-24-0

Catalog:	BB068019
Product Name:	2,6-Dichloroindophenol Sodium Salt Dihydrate
CAS:	1082681-24-0
Synonyms:	[p-[(3,5-Dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenoxy]- (7CI); 2,6-

Technical Data

IUPAC Name:	sodium4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolatedihydrate
Description:	2,6-Dichloroindophenol Sodium Salt is a part of colorimetric sensor array for detection and identification of organophosphorus and carbamate pesticides. Dyes and metabolites.
Molecular Weight:	290.08 + 2(18.02)
Molecular Formula:	C12H6Cl2NNaO2+2H2O
Canonical SMILES:	C1=CC(=CC=C1N=C2C=C(C(=O)C(=C2)Cl)Cl)[O-].O.O.[Na+]
InChI:	InChI=1S/C12H7Cl2NO2.Na.2H2O/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H2*1H2/q+1/p-1
InChI Key:	WZHXLAHEFATELD-UHFFFAOYSA-M
Solubility:	DMSO (Slightly, Sonicated), Methanol (Slightly), Water (Slightly, Heated, Sonica
Appearance:	Dark Green to Very Dark Green Solid
Storage:	-20°C, Hygroscopic
References:	Qian, S., et al. Anal. Chem., 87, 5395 (2015).

Complexity:	400
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	4
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	324.9884575
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	324.9884575
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0