2-Naphthol - BioReagent, ≥99%(GC) , CAS No.135-19-3

CAS: 135-19-3 Cat. No.: N755556 Formula: C₁₀H₈O Molecular Weight: 144.17 Beilstein Registry Number: 742134 EC Number: 205-182-7

GRADE & PURITY BioReagent, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

BioReagent, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

BioReagent

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

528757664

Canonical Smiles

C1=CC=C2C=C(C=CC2=C1)O

IUPAC Name

naphthalen-2-ol

InChIKey

JWAZRIHNYRIHIV-UHFFFAOYSA-N

INCHI

1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)O

WGK Germany

2

RTECS

QL2975000

UN Number

2811

Molecular Weight

144.17

Beilstein

742134

Reaxy-Rn

742134

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• External Descriptors: a small molecule

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(°C): 161℃
• Boil Point(°C): 285～286°C
• Melt Point(°C): 121-123°C
• Molecular Weight: 144.170 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.058 Da
• Monoisotopic Mass: 144.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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