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Direct Red 79 - technical grade, high purity , CAS No.1937-34-4

3 Citations

COA

Grade & Purity:

technical grade

Cas Number: 1937-34-4
Molecular Weight: 1048.9
EC Number: 217-708-2
PubChem CID: 159634

In stock

Item Number

C615350

Grouped product items
SKU	Size	Availability	Price
C615350-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$27.90
C615350-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$77.90
C615350-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90
C615350-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90

Basic Description

Synonyms	C.I. Direct Red 79 \| 2,7-Naphthalenedisulfonic acid, 4,4'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis(5-hydroxy-, sodium salt (1:4) \| Urea, N,N'-bis((4-(((3,6-disulfo-8-hydroxy)naphthalene-1-yl)azo)-2-methoxy-5-methyl)phenyl)
Specifications & Purity	technical grade
Storage Temp	Room temperature
Shipped In	Normal
Grade	technical grade

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 N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Toluenes Sulfonyls Organosulfonic acids Ureas Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic cations
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - N-phenylurea - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Ether - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic sodium salt - Organic nitrogen compound - Organic cation - 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	tetrasodium;4-hydroxy-5-[[4-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate
INCHI	InChI=1S/C37H32N6O17S4.4Na/c1-17-5-27(33(59-3)15-25(17)40-42-29-11-21(61(47,48)49)7-19-9-23(63(53,54)55)13-31(44)35(19)29)38-37(46)39-28-6-18(2)26(16-34(28)60-4)41-43-30-12-22(62(50,51)52)8-20-10-24(64(56,57)58)14-32(45)36(20)30;;;;/h5-16,44-45H,1-4H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4
InChIKey	WNQPPENQFWLADQ-UHFFFAOYSA-J
Smiles	CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C=C6O)S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES	CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C=C6O)S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
Molecular Weight	1048.9
Reaxy-Rn	8968251
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8968251&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	>300° C
Molecular Weight	1048.900 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	8
Exact Mass	1048 Da
Monoisotopic Mass	1048 Da
Topological Polar Surface Area	412.000 Å²
Heavy Atom Count	68
Formal Charge	0
Complexity	1960.000
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	5

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