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

CAS: 135-19-3 Cat. No.: N755556 분자식: C₁₀H₈O 분자량: 144.17 Beilstein Registry Number: 742134 EC 번호: 205-182-7

등급 & 순도 BioReagent, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

사양

사양 및 순도

BioReagent, ≥99%(GC)

보관 조건

Room temperature

배송

Normal

등급

BioReagent

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

528757664

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

QL2975000

UN 번호

2811

분자량

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
    • 분류 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°C): 161℃
• 끓는점(°C): 285～286°C
• 녹는점(°C): 121-123°C
• 분자량: 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