8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt - ≥98% , CAS No.6358-69-6

CAS: 6358-69-6 Cat. No.: H131274 Peso molecular: 524.385 Beilstein Registry Number: 4107272 Número EC: 228-783-6

GRADE & PURITY ≥98%

Synonyms

HPTS | TRISODIUM SALT OF 8-HYDROXY-1,3,6-PYRENE-TRISULFONIC ACID | D & C Green no. 8 | Solvent Green 7 hydrate | D&C Green 8 | Japan Green No. 204 | Pyrene 1 | 1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-, sodium salt (1:3) | 7,8-Hydroxypyrene-1,3,6-trisulfon

Storage

Room temperature

Shipped In

Normal

Descripción general

Highly water-soluble membrane-impermeant pH indicator

Specifications

Sinónimos

HPTS | TRISODIUM SALT OF 8-HYDROXY-1, 3, 6-PYRENE-TRISULFONIC ACID | D & C Green no. 8 | Solvent Green 7 hydrate | D&C Green 8 | Japan Green No. 204 | Pyrene 1 | 1, 3, 6-Pyrenetrisulfonic acid, 8-hydroxy-, sodium salt (1:3) | 7, 8-Hydroxypyrene-1, 3, 6-trisulfon

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nota

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183491
• Sonrisas canónicas: C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate
• InChIKey: KXXXUIKPSVVSAW-UHFFFAOYSA-K
• INCHI: 1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3
• Isómeros SMILES: C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• WGK Alemania: 3
• RTECS: UR2700000
• Peso molecular: 524.385
• Beilstein: 4107272
• Reaxy-Rn: 4107272
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4107272&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrols 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrol - Phenanthrene - Naphthalene sulfonate - 2-naphthalene sulfonate - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - 2-naphthol - 1-naphthol - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: organic sodium salt

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

• Solubilidad: Soluble in water and glacial acetic acid.
• Sensibilidad: light sensitive
• Punto de fusión (°C): >300 °C (lit.)
• Peso molecular: 524.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 523.889 Da
• Monoisotopic Mass: 523.889 Da
• Topological Polar Surface Area: 217.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 931.000
• 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: 4

XLogP3

Referencias

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