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Sodium 4-[3-(4-iodophenyl)-2-(2,4-dinitrophenyl)-2H-5-tetrazolio]-1,3-benzene disulfonate - Biological stain,Biochemical reagent, high purity , CAS No.161617-45-4

COA

Grade & Purity:

Biochemical

Biological Stain

Cas Number: 161617-45-4
Molecular Weight: 671
PubChem CID: 9810247

In stock

Item Number

S191272

Grouped product items
SKU	Size	Availability	Price	Qty
S191272-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,810.90
S191272-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,785.90

Basic Description

Synonyms	4-[3-(4-Iodophenyl)-2-(2,4-dinitrophenyl)-2H-5-tetrazolio]-1,3-benzenedisulfonate sodium salt \| WST 3 \| IPB \| 4(3-(4-IODOPHE)2(2 4-DINITROPHE)TETRAZOL \| MFCD01075080 \| 2H-Tetrazolium, 2-(2,4-dinitrophenyl)-5-(2,4-disulfophenyl)-3-(4-iodophenyl)-, inner sa
Specifications & Purity	Biological stain, Biochemical
Shipped In	Normal
Grade	Biochemical, Biological Stain

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Nitrobenzenes 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Iodobenzenes Sulfonyls Organosulfonic acids Heteroaromatic compounds Formazans Azoles Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metal halides Iodoalkenes Azacyclic compounds Organopnictogen compounds Organoiodides Organic sodium salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Iodobenzene - Halobenzene - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Formazan - Azole - Organic nitro compound - C-nitro compound - Organic metal halide - Azacycle - Organic alkali metal salt - Iodoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organoiodide - Organic hyponitrite - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	sodium;4-[2-(2,4-dinitrophenyl)-3-(4-iodophenyl)tetrazol-2-ium-5-yl]benzene-1,3-disulfonate
INCHI	InChI=1S/C19H11IN6O10S2.Na/c20-11-1-3-12(4-2-11)23-21-19(15-7-6-14(37(31,32)33)10-18(15)38(34,35)36)22-24(23)16-8-5-13(25(27)28)9-17(16)26(29)30;/h1-10H,(H-,31,32,33,34,35,36);/q;+1/p-1
InChIKey	LKVNWZJLLRMMAS-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1N2N=C(N=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+]
Isomeric SMILES	C1=CC(=CC=C1N2N=C(N=[N+]2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+]
PubChem CID	9810247
Molecular Weight	671

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	696.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Exact Mass	695.884 Da
Monoisotopic Mass	695.884 Da
Topological Polar Surface Area	257.000 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1070.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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