2-Naphthyl Trifluoromethanesulfonate - ≥95%(GC) , CAS No.3857-83-8

CAS: 3857-83-8 Cat. No.: N159479 Molecular Weight: 276.23 EC Number: 624-190-5

GRADE & PURITY ≥95%(GC)

Synonyms

2-Naphthyl trifluoromethanesulfonate, 97% | 2-Naphthyl trifluoromethanesulfonate | naphthalen-2-yl trifluoromethanesulfonate | 2-Naphthyltriflate | SCHEMBL1713420 | 2-Naphthyl triflate | BS-22941 | MFCD00192341 | T72409 | A873815 | 2-naphthyltrifluorometh

Storage

Room temperature

Shipped In

Normal

Overview

2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) is an aryl triflate. Its ruthenium-catalyzed conversion to 2-bromonaphthalene has been reported

Specifications

Synonyms

2-Naphthyl trifluoromethanesulfonate, 97% | 2-Naphthyl trifluoromethanesulfonate | naphthalen-2-yl trifluoromethanesulfonate | 2-Naphthyltriflate | SCHEMBL1713420 | 2-Naphthyl triflate | BS-22941 | MFCD00192341 | T72409 | A873815 | 2-naphthyltrifluorometh

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504763049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763049
• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
• IUPAC Name: naphthalen-2-yl trifluoromethanesulfonate
• InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
• INCHI: 1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
• WGK Germany: 3
• Molecular Weight: 276.23
• Reaxy-Rn: 1988982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1988982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 87°C/0.2mmHg(lit.)
• Melt Point(°C): 32°C(lit.)
• Molecular Weight: 276.230 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 276.007 Da
• Monoisotopic Mass: 276.007 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 385.000
• 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