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Azocal A - Analytical Reagent, high purity , CAS No.1836-22-2

COA

Grade & Purity:

Cas Number: 1836-22-2
Molecular Weight: 518.35
MDL number: MFCD00046379
PubChem CID: 135565636

In stock

Item Number

A305253

Grouped product items
SKU	Size	Availability	Price
A305253-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
A305253-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$307.90
A305253-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$463.90

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Six membered carbocyclic compound (243) Spectroscopic reagent (233)

Basic Description

Synonyms	C.I. Mordant Red 9 \| Diamond Red BHA \| A812391 \| BENZOIC ACID, 2-((2-HYDROXY-3,6-DISULFO-1-NAPHTHALENYL)AZO)- , TRISODIUM SALT \| DTXSID6052748 \| EINECS 217-401-3 \| Erio Chrome Red PE \| Eriochrome Red PE1 \| Syton Fast Geranium 3B \| Ext D and C Red No. 2 \|
Specifications & Purity	AR
Storage Temp	Room temperature
Shipped In	Normal
Grade	AR

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 Benzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Phenoxides Sulfonyls Organosulfonic acids Carboxylic acid salts Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Phenoxide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - 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	trisodium;4-[(2-carboxyphenyl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate
INCHI	InChI=1S/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3
InChIKey	RBKBGHZMNFTKRE-UHFFFAOYSA-K
Smiles	C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
PubChem CID	135565636
Molecular Weight	518.35

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
G2429040	Certificate of Analysis	May 17, 2024	A305253
G2429041	Certificate of Analysis	May 17, 2024	A305253

Chemical and Physical Properties

Solubility	Soluble in water
Molecular Weight	518.400 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	517.944 Da
Monoisotopic Mass	517.944 Da
Topological Polar Surface Area	216.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	851.000
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	4

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