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

CAS: 3244-88-0 Cat. No.: A104917 Formula: C₂₀H₁₇N₃Na₂O₉S₃ Peso molecolare: 585.54 Beilstein Registry Number: 4111656 Numero EC: 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

Sinonimi

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

Specifiche e purezza

High-purity, ≥70%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

High-purity

Purezza

≥70%

Nomi e identificatori

• Pubchem Sid: 504768398
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768398
• Sorrisi canonici: 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
• Isomeri 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 Germania: 3
• RTECS: DD4737000
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Peso molecolare: 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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