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- |
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: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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