Sodium 6,8-dihydroxypyrene-1,3-disulfonate - ≥97% , CAS No.61255-63-8

CAS: 61255-63-8 Cat. No.: D113509 Molecular Weight: 438.34 Beilstein Registry Number: 8962638 EC Number: 635-207-0

GRADE & PURITY ≥97%

Synonyms

6,8-Dihydroxy-1,3-pyrenedisulfonic acid disodium salt, BioReagent, suitable for fluorescence, >=97.0% (HPCE) | Sodium6,8-dihydroxypyrene-1,3-disulfonate | Sodium 6,8-dihydroxypyrene-1,3-disulfonate | Disodium 6,8-dihydroxy-1,3-pyrenedisulfonate | MFCD0080

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6, 8-Dihydroxy-1, 3-pyrenedisulfonic acid disodium salt, BioReagent, suitable for fluorescence, >=97.0% (HPCE) | Sodium6, 8-dihydroxypyrene-1, 3-disulfonate | Sodium 6, 8-dihydroxypyrene-1, 3-disulfonate | Disodium 6, 8-dihydroxy-1, 3-pyrenedisulfonate | MFCD0080

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)O.[Na+].[Na+]
• IUPAC Name: disodium;6,8-dihydroxypyrene-1,3-disulfonate
• InChIKey: JISMNCQKTAIERN-UHFFFAOYSA-L
• INCHI: 1S/C16H10O8S2.2Na/c17-11-5-12(18)8-2-4-10-14(26(22,23)24)6-13(25(19,20)21)9-3-1-7(11)15(8)16(9)10;;/h1-6,17-18H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)O.[Na+].[Na+]
• WGK Germany: 3
• Molecular Weight: 438.34
• Beilstein: 8962638
• Reaxy-Rn: 8962638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8962638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrol - Phenanthrene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - 1-naphthol - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenol - 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 - Organic cation - Aromatic homopolycyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;Light sensitive
• Melt Point(°C): ≥250°C
• Molecular Weight: 438.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 437.946 Da
• Monoisotopic Mass: 437.946 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 678.000
• 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

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