Acid Fuchsin - high-purity, ≥70% , CAS No.3244-88-0

CAS: 3244-88-0 Cat. No.: A104917 Summenformel: C₂₀H₁₇N₃Na₂O₉S₃ Molekulargewicht: 585.54 Beilstein Registry Number: 4111656 EG-Nummer: 221-816-5

GRADE & PURITY High-purity, ≥70%

Synonyms

Acid violet 19 | C.I. Acid Violet 19 | disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate | ACID FUCHSIN SODIUM SALT | AKOS005267235 | Acid fuchsin | Acid Violet 19; Acid fuchsi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Acid violet 19 | C.I. Acid Violet 19 | disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate | ACID FUCHSIN SODIUM SALT | AKOS005267235 | Acid fuchsin | Acid Violet 19; Acid fuchsi

Spezifikationen & Reinheit

High-purity, ≥70%

Storage

Room temperature

Verschickt in

Normal

Note

High-purity

Reinheit

≥70%

Namen und Kennungen

Pubchem Sid

504768398

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768398

Kanonisches Lächeln

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)[O-])C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate

InChIKey

WZRZTHMJPHPAMU-UHFFFAOYSA-L

INCHI

1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

Isomere SMILES

CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C=C3)N)S(=O)(=O)[O-])/C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]

WGK Deutschland

3

RTECS

DD4737000

Molekulargewicht

585.54

Beilstein

4111656

Reaxy-Rn

27912933

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27912933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Monocyclic monoterpenoids Benzenesulfonic acids and derivatives Aromatic monoterpenoids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic sodium salt - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Molekulargewicht: 585.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 584.992 Da
• Monoisotopic Mass: 584.992 Da
• Topological Polar Surface Area: 270.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

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