2'-Hydroxy-1'-acetonaphthone - ≥98%(GC) , CAS No.574-19-6

CAS: 574-19-6 Cat. No.: H156988 분자식: C₁₂H₁₀O₂ 분자량: 186.21 Beilstein Registry Number: 8(4)1173 EC 번호: 209-369-4

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 209-369-4 | EN300-1854994 | SCHEMBL426582 | SY048831 | 1-(2-hydroxynaphthalen-1-yl)ethanone | AKOS003630502 | 1-Acetyl-2-hydroxynaphthlene | 2'-Hydroxy-1'-acetonaphthone | 2-Hydroxy-1-acetonaphthone | PS-11343 | 1-(2-Hydroxy-1-naphthalenyl)ethanone

Storage

Room temperature

Shipped In

Normal

개요

2′-Hydroxy-1′-acetonaphthone was used in preparation of 1-(N-isopropyl-a-iminoethyl)-2-naphthol, Schiff base.

Specifications

동의어

EINECS 209-369-4 | EN300-1854994 | SCHEMBL426582 | SY048831 | 1-(2-hydroxynaphthalen-1-yl)ethanone | AKOS003630502 | 1-Acetyl-2-hydroxynaphthlene | 2'-Hydroxy-1'-acetonaphthone | 2-Hydroxy-1-acetonaphthone | PS-11343 | 1-(2-Hydroxy-1-naphthalenyl)ethanone

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488184145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184145

정식 스마일

CC(=O)C1=C(C=CC2=CC=CC=C21)O

IUPAC Name

1-(2-hydroxynaphthalen-1-yl)ethanone

InChIKey

VUIOUIWZVKVFCI-UHFFFAOYSA-N

INCHI

1S/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3

이성체 SMILES

CC(=O)C1=C(C=CC2=CC=CC=C21)O

WGK 독일

3

분자량

186.21

Beilstein

8(4)1173

Reaxy-Rn

1869900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869900&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: Acetophenones Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - 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: 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

화학 및 물리적 특성

• 끓는점(°C): 130-132°/2mmHg
• 녹는점(°C): 65-67 °C
• 분자량: 186.210 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 574-19-6, the molecular formula is C12H10O2, and the molecular weight is 186.21 g/mol. InChIKey VUIOUIWZVKVFCI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.