Crocein Orange G - ≥70% , CAS No.1934-20-9

CAS: 1934-20-9 Cat. No.: C110109 Molecular Weight: 350.32 Beilstein Registry Number: 4117392 EC Number: 217-697-4

GRADE & PURITY ≥70%

Synonyms

6-Hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid, sodium salt | Crocein Orange | I3D360R468 | C.I. ACID ORANGE 12, MONOSODIUM SALT | NSC 7831 | Sodium 6-hydroxy-5-(phenyldiazenyl)naphthalene-2-sulfonate | KBioSS_001892 | Orange LZS | SCHEMBL755171 | Sil

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid, sodium salt | Crocein Orange | I3D360R468 | C.I. ACID ORANGE 12, MONOSODIUM SALT | NSC 7831 | Sodium 6-hydroxy-5-(phenyldiazenyl)naphthalene-2-sulfonate | KBioSS_001892 | Orange LZS | SCHEMBL755171 | Sil

Specifications & Purity

≥70%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥70%

Names and Identifiers

• Pubchem Sid: 488202930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202930
• Canonical Smiles: C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+]
• IUPAC Name: sodium;6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonate
• InChIKey: YOCIQNIEQYCORH-UHFFFAOYSA-M
• INCHI: 1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+]
• WGK Germany: 3
• RTECS: QK2430000
• Molecular Weight: 350.32
• Beilstein: 4117392
• Reaxy-Rn: 4117392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117392&ln=

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 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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

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

Associated Targets(Human)

A498 (42825 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Water (Slightly)
• Sensitivity: Light sensitive
• Molecular Weight: 350.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 350.034 Da
• Monoisotopic Mass: 350.034 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 531.000
• 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

XLogP3

References

1. Ying Tang, Beibei Tang, Peiyi Wu.  (2015)  A polymeric ionic liquid functionalized temperature-responsive composite membrane with tunable responsive behavior.  Journal of Materials Chemistry A,  3  (15): (7919-7928).  [PMID:] [10.1039/C5TA00212E]