CAS No.620-45-1,2,6-Dichloroindophenol sodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	620-45-1
Name:	2,6-Dichloroindophenol sodium salt
Article Data:	1

Formula:	C₁₂H₆Cl₂NNaO₂
Molecular Weight:	290.081
Synonyms:	2,5-Cyclohexadien-1-one,2,6-dichloro-4-[(4-hydroxyphenyl)imino]-, sodium salt (9CI);Indophenol, 2,6-dichloro-, sodium salt(8CI);Sodium,[p-[(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenoxy]- (7CI);2,6-Dichloroindophenol sodium;2,6-Dichlorophenol indophenol sodium salt;Sodium2,6-dichloroindophenol;Sodium 2,6-dichloroindophenolate;Tillmans' reagent;
EINECS:	210-640-4
Melting Point:	> 300 °C
Solubility:	Soluble in water.
Appearance:	dark green powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	52.49000
LogP:	3.73100

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2,6-Dichloroindophenol sodium, with the CAS registry number 620-45-1, is also known as Dichlorphenol-indophenolnatrium. Its EINECS registry number is 210-640-4. This chemical's molecular formula is C₁₂H₆Cl₂NNaO₂ and molecular weight is 290.07731. Its IUPAC name is called sodium 4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate. This chemical is dark green powder. Its classification code is Drug / Therapeutic Agent. The product should be sealed and stored away from sources of ignition - No smoking. It can be used for determination of ascorbic acid and is also used for REDOX indicator and chromatographic analysis reagent.

Physical properties of 2,6-Dichloroindophenol sodium: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 1; (4)Exact Mass: 288.967329; (5)MonoIsotopic Mass: 288.967329; (6)Topological Polar Surface Area: 52.5; (7)Heavy Atom Count: 18; (8)Formal Charge: 0; (9)Complexity: 400; (10)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N=C2C=C(C(=O)C(=C2)Cl)Cl)[O-].[Na+]
(2)InChI: InChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1
(3)InChIKey: CVSUAFOWIXUYQA-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 349, 1982.
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04765,