1,8-Naphthosultone - ≥98%(HPLC) , CAS No.83-31-8

CAS: 83-31-8 Cat. No.: N134449 Formula: C₁₀H₆O₃S Peso molecolare: 206.22 Beilstein Registry Number: 19(3/4)323 Numero EC: 201-468-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

Naphth[1,8-cd]-1,2-oxathiole,2,2-dioxide | {Naphth[1,8-cd]-1,2-oxathiole,} 2,2-dioxide | 1,8-Naphthasultone | A864275 | Naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide | Naphthalene-1,8-sultone | 1-Naphthalenesulfonic acid, 8-hydroxy-, .gamma.-sultone | 1,8-Nap

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Naphth[1,8-cd]-1,2-oxathiole,2,2-dioxide | {Naphth[1,8-cd]-1,2-oxathiole,} 2,2-dioxide | 1,8-Naphthasultone | A864275 | Naphtho[1,8-cd][1,2]oxathiole 2,2-dioxide | Naphthalene-1,8-sultone | 1-Naphthalenesulfonic acid, 8-hydroxy-, .gamma.-sultone | 1,8-Nap

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

528753899

Sorrisi canonici

C1=CC2=C3C(=C1)OS(=O)(=O)C3=CC=C2

IUPAC Name

2-oxa-3λ6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide

InChIKey

IEIADDVJUYQKAZ-UHFFFAOYSA-N

INCHI

1S/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H

Isomeri SMILES

C1=CC2=C3C(=C1)OS(=O)(=O)C3=CC=C2

WGK Germania

3

Peso molecolare

206.22

Beilstein

19(3/4)323

Reaxy-Rn

9381

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 158 °C
• Peso molecolare: 206.220 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 206.004 Da
• Monoisotopic Mass: 206.004 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 330.000
• 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: 1