3-Hydroxy-4-((2-hydroxynaphthyl)azo)naphthalene-1-sulphonic acid , CAS No.2538-79-6

CAS: 2538-79-6 Cat. No.: H667855 Molecular Weight: 394.4
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Synonyms
EINECS 219-808-1 | 3-Hydroxy-4-((2-hydroxynaphthyl)azo)naphthalene-1-sulphonic acid | DTXSID80862981 | ZMLWOOMWRCRLCH-UHFFFAOYSA-N | BDBM50105977 | NCI60_003954 | NCI60_004126 | 1-(2-hydroxy-1-naphthy-lazo)-2-naphthol-4-sulfonic acid | 3-Hydroxy-4-(2-hydr
Storage
Room temperature
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Size
Status
Price
Qty
1mg
H667855-1mg
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$571.90

$999.90
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5mg
H667855-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
EINECS 219-808-1 | 3-Hydroxy-4-((2-hydroxynaphthyl)azo)naphthalene-1-sulphonic acid | DTXSID80862981 | ZMLWOOMWRCRLCH-UHFFFAOYSA-N | BDBM50105977 | NCI60_003954 | NCI60_004126 | 1-(2-hydroxy-1-naphthy-lazo)-2-naphthol-4-sulfonic acid | 3-Hydroxy-4-(2-hydr
Storage
Room temperature
Product Properties
ALogP4.2
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O
IUPAC Name3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
InChIKeyZMLWOOMWRCRLCH-UHFFFAOYSA-N
INCHI1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)
Isomeric SMILES C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O
Molecular Weight 394.4
Reaxy-Rn 768014
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=768014&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
Subclass1,1'-azonaphthalenes
Intermediate Tree Nodes Not available
Direct Parent1,1'-azonaphthalenes
Alternative Parents 1-naphthalene sulfonic acids and derivatives  1-naphthalene sulfonates  Naphthols and derivatives  1-sulfo,2-unsubstituted aromatic compounds  1-hydroxy-2-unsubstituted benzenoids  Sulfonyls  Organosulfonic acids  Azo compounds  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents 1,1'-azonaphthalene - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonate - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MPL Tclin Thrombopoietin receptor (559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLB1 Tchem Beta-galactosidase (339 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alpha-chymotrypsin (819 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight394.400 g/mol
XLogP34.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass394.062 Da
Monoisotopic Mass394.062 Da
Topological Polar Surface Area128.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity679.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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