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Dimethyl sulfonazo lll , CAS No.14979-11-4

COA

Cas Number: 14979-11-4
Molecular Weight: 716.68
EC Number: 239-057-3
PubChem CID: 135496539

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Item Number

D346523

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SKU	Size	Availability	Price	Qty
D346523-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
D346523-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$188.90

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Spectroscopic reagent (233)

Basic Description

Synonyms	2,7-Bis[(4-methyl-2-sulfophenyl)azo]-1,8-dihydroxynaphthalene-3,6-disulfonic Acid \| 2,7-Bis(2-sulfo-p-tolylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic Acid \| DTXSID601124215 \| SCHEMBL8086685 \| 4,5-Dihydroxy-3,6-bis((4-methyl-2-sulphophenyl)azo)naphthalen
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Dimethyl sulfonazo lll is an indicator for the precipitation-titration of sulfate with Ba(CIO\|4\|)\|2\|.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalene sulfonic acids and derivatives
      - Level5 Naphthalene sulfonates
        Level6 2-naphthalene sulfonates

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Naphthalene sulfonates
Direct Parent	2-naphthalene sulfonates
Alternative Parents	2-naphthalene sulfonic acids and derivatives Naphthols and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Toluenes 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused 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	4,5-dihydroxy-3,6-bis[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
INCHI	InChI=1S/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKey	KVJXQZRHQQUTSM-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)C)S(=O)(=O)O)O)O)S(=O)(=O)O
Isomeric SMILES	CC1=CC(=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)C)S(=O)(=O)O)O)O)S(=O)(=O)O
Molecular Weight	716.68
Reaxy-Rn	7068179
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7068179&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in water.
Molecular Weight	716.700 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	8
Exact Mass	715.986 Da
Monoisotopic Mass	715.986 Da
Topological Polar Surface Area	341.000 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1480.000
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	1

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