Diamine Green B , CAS No.4335-09-5

CAS: 4335-09-5 Cat. No.: D404134 Fórmula: C₃₄H₂₂N₈Na₂O₁₀S₂ Peso molecular: 812.7 Número EC: 224-376-2

Synonyms

Kayaku Direct Green B | 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-((4'-((4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-((4-nitrophenyl)azo)-, disodium salt | D0237 | EINECS 224-376-2 | Hispamin Green B | Renol Green B | Bencidal Green B | C.I.

Storage

Room temperature

Descripción general

Maximum Absorption Wavelength:653(H2O)nm

Specifications

Sinónimos

Kayaku Direct Green B | 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-((4'-((4-hydroxyphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-((4-nitrophenyl)azo)-, disodium salt | D0237 | EINECS 224-376-2 | Hispamin Green B | Renol Green B | Bencidal Green B | C.I.

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=CC=C(C=C6)O.[Na+].[Na+]

IUPAC Name

disodium;5-amino-4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate

InChIKey

VLFKFKCRUCJVNE-UHFFFAOYSA-L

INCHI

1S/C34H24N8O10S2.2Na/c35-31-30-21(17-28(53(47,48)49)32(31)40-38-24-9-13-26(14-10-24)42(45)46)18-29(54(50,51)52)33(34(30)44)41-39-23-7-3-20(4-8-23)19-1-5-22(6-2-19)36-37-25-11-15-27(43)16-12-25;;/h1-18,43-44H,35H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

Isómeros SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=CC=C(C=C6)O.[Na+].[Na+]

RTECS

QJ6194500

Peso molecular

812.7

Reaxy-Rn

740446

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=740446&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Azobenzenes 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates Nitrobenzenes 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzidine - 2-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Azobenzene - Naphthalene sulfonate - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Phenoxide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Peso molecular: 812.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 812.07 Da
• Monoisotopic Mass: 812.07 Da
• Topological Polar Surface Area: 318.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1540.000
• 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: 3

XLogP3

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4335-09-5, the molecular formula is C34H22N8Na2O10S2, and the molecular weight is 812.7 g/mol. InChIKey VLFKFKCRUCJVNE-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.