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Pigment Red 63:1 , CAS No.6417-83-0

COA

Cas Number: 6417-83-0
Molecular Weight: 460.47
PubChem CID: 135487685
PubChem SID: 488202946

In stock

Item Number

P341829

Grouped product items
SKU	Size	Availability	Price
P341829-1g	1g	5	$139.90
P341829-5g	5g	3	$628.90
P341829-25g	25g	1	$2,827.90
P341829-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10,180.90
P341829-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45,812.90

Basic Description

Synonyms	AKA220 \| C.I. NO.15880 (D&C RED NO. 34) \| 3-HYDROXY-4-((1-SULFO-2-NAPHTHALENYL)AZO)-2-NAPHTHALENECARBOXYLIC ACID, DISODIUM SALT \| Calcium 3-hydroxy-4-((1-sulphonato-2-naphthyl)azo)-2-naphthoate \| CI 15880:1 (Ca salt) \| D & C Red no. 34 \| D&C Red No. 34 \|
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalene sulfonic acids and derivatives
      - Level5 Naphthalene sulfonates
        Level6 1-naphthalene sulfonates

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Naphthalene sulfonates
Direct Parent	1-naphthalene sulfonates
Alternative Parents	1-naphthalene sulfonic acids and derivatives Naphthalenecarboxylic acids Arylsulfonic acids and derivatives Phenoxides Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic calcium salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Azo compound - Carboxylic acid salt - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Organic calcium salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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

Pubchem Sid	488202946
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202946
IUPAC Name	calcium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
INCHI	InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2
InChIKey	OVHKKOQGPOYPLY-UHFFFAOYSA-L
Smiles	C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-].[Ca+2]
Isomeric SMILES	C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-].[Ca+2]
PubChem CID	135487685
Molecular Weight	460.47

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6 results found

Lot Number	Certificate Type	Date	Item
G2303133	Certificate of Analysis	Jun 12, 2023	P341829
G2303141	Certificate of Analysis	Jun 12, 2023	P341829
G2303240	Certificate of Analysis	Jun 12, 2023	P341829
G2303239	Certificate of Analysis	Jun 12, 2023	P341829
G2303120	Certificate of Analysis	Jun 12, 2023	P341829
G2303246	Certificate of Analysis	Jun 12, 2023	P341829

Chemical and Physical Properties

Melt Point(°C)	>300° C
Molecular Weight	460.500 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	460.004 Da
Monoisotopic Mass	460.004 Da
Topological Polar Surface Area	151.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	753.000
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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