2-Naphthyl phosphate sodium salt - ≥98% , CAS No.14463-68-4

CAS: 14463-68-4 Cat. No.: N113487 Molecular Weight: 246.13 Beilstein Registry Number: 1969493 EC Number: 238-452-8

GRADE & PURITY ≥98%

Synonyms

AKOS016012983 | FT-0613134 | Sodium 2-naphthyl hydrogen phosphate | 2-Naphthyl phosphate monosodium salt hydrate | Sodium naphthalen-2-yl hydrogenphosphate | AS-70774 | N-2450 | MFCD00065914 | Sodiumnaphthalen-2-ylhydrogenphosphate | beta-Naphthyl phospha

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS016012983 | FT-0613134 | Sodium 2-naphthyl hydrogen phosphate | 2-Naphthyl phosphate monosodium salt hydrate | Sodium naphthalen-2-yl hydrogenphosphate | AS-70774 | N-2450 | MFCD00065914 | Sodiumnaphthalen-2-ylhydrogenphosphate | beta-Naphthyl phospha

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769700
• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+]
• IUPAC Name: sodium;naphthalen-2-yl hydrogen phosphate
• InChIKey: GHMHDIFFBHLXTJ-UHFFFAOYSA-M
• INCHI: 1S/C10H9O4P.Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,11,12,13);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+]
• WGK Germany: 3
• Molecular Weight: 246.13
• Beilstein: 1969493
• Reaxy-Rn: 3779148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3779148&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: Aryl phosphomonoesters Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aryl phosphate - Aryl phosphomonoester - Naphthalene - Phosphoric acid ester - Organic phosphoric acid derivative - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organic cation - 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

• Molecular Weight: 246.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 246.006 Da
• Monoisotopic Mass: 246.006 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• 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: 2

XLogP3